--- OA_place: publisher OA_type: hybrid PlanS_conform: '1' _id: '21980' abstract: - lang: eng text: Despite significant progress in the field of molecular electronics over the last two decades, the quantitative prediction of metal-molecule-metal junction conductance remains a challenge. The standard computational framework combines density functional theory (DFT) with nonequilibrium Green’s functions (NEGF) using low-rung exchange-correlation functionals such as PBE, which overestimate the conductances. More advanced correction methods exist but require complex workflows and high computational cost, limiting their accessibility. Here, we introduce a physically motivated approach that approximates results obtained with high-rung functionals. Our method fits the PBE-calculated transmission to a Breit-Wigner form and subsequently refines the fit parameters using molecular orbital energies and metal densities of states computed for the isolated subsystems with high-rung functionals. This approach is applicable to a broad range of molecular junctions yielding conductance values in quantitative agreement with experiments. Our approach is simple, low-cost, and accurate, making it well-suited for routine and large-scale prediction of single-molecule junction conductance. acknowledgement: This work was supported primarily by the Institute of Science and Technology Austria. L.V. was supported in part by the National Science Foundation (No. NSF-DMR 2241180). Z.-F.L. was supported by an NSF CAREER Award, No. DMR-2044552 and an Alfred P. Sloan Research Fellowship, No. FG-2024-21750. article_processing_charge: Yes (via OA deal) article_type: letter_note author: - first_name: Artem full_name: Gulyaev, Artem id: 83ed7901-7380-11f0-bf20-a0788d5e654d last_name: Gulyaev - first_name: Jyotisman full_name: Hazarika, Jyotisman id: d87714c4-663d-11f0-bd06-caece19833e5 last_name: Hazarika orcid: 0009-0007-2542-7878 - first_name: Zhen-Fei full_name: Liu, Zhen-Fei last_name: Liu - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 chemrxivid: 1 citation: ama: Gulyaev A, Hazarika J, Liu Z-F, Venkataraman L. A computationally efficient and accurate method for predicting conductance of single-molecule junctions. Nano Letters. 2026;26(22):7429–7434. doi:10.1021/acs.nanolett.6c01462 apa: Gulyaev, A., Hazarika, J., Liu, Z.-F., & Venkataraman, L. (2026). A computationally efficient and accurate method for predicting conductance of single-molecule junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.6c01462 chicago: Gulyaev, Artem, Jyotisman Hazarika, Zhen-Fei Liu, and Latha Venkataraman. “A Computationally Efficient and Accurate Method for Predicting Conductance of Single-Molecule Junctions.” Nano Letters. American Chemical Society, 2026. https://doi.org/10.1021/acs.nanolett.6c01462. ieee: A. Gulyaev, J. Hazarika, Z.-F. Liu, and L. Venkataraman, “A computationally efficient and accurate method for predicting conductance of single-molecule junctions,” Nano Letters, vol. 26, no. 22. American Chemical Society, pp. 7429–7434, 2026. ista: Gulyaev A, Hazarika J, Liu Z-F, Venkataraman L. 2026. A computationally efficient and accurate method for predicting conductance of single-molecule junctions. Nano Letters. 26(22), 7429–7434. mla: Gulyaev, Artem, et al. “A Computationally Efficient and Accurate Method for Predicting Conductance of Single-Molecule Junctions.” Nano Letters, vol. 26, no. 22, American Chemical Society, 2026, pp. 7429–7434, doi:10.1021/acs.nanolett.6c01462. short: A. Gulyaev, J. Hazarika, Z.-F. Liu, L. Venkataraman, Nano Letters 26 (2026) 7429–7434. corr_author: '1' das_tickbox: '1' date_created: 2026-06-10T07:27:19Z date_published: 2026-06-01T00:00:00Z date_updated: 2026-07-28T09:57:28Z day: '01' ddc: - '540' department: - _id: LaVe - _id: GradSch doi: 10.1021/acs.nanolett.6c01462 external_id: chemrxivid: - 10.26434/chemrxiv.15001696 pmid: - '42223342' file: - access_level: open_access checksum: 897551374cac28e0db26dcb0b676b8e7 content_type: application/pdf creator: dernst date_created: 2026-06-16T09:11:35Z date_updated: 2026-06-16T09:11:35Z file_id: '22013' file_name: 2026_NanoLetters_Gulyaev.pdf file_size: 3362800 relation: main_file success: 1 file_date_updated: 2026-06-16T09:11:35Z fulldoi: https://doi.org/10.1021/acs.nanolett.6c01462 has_accepted_license: '1' intvolume: ' 26' issue: '22' language: - iso: eng license: https://creativecommons.org/licenses/by/4.0/ month: '06' oa: 1 oa_version: Published Version page: 7429–7434 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: A computationally efficient and accurate method for predicting conductance of single-molecule junctions tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 26 year: '2026' ... --- OA_place: publisher OA_type: hybrid _id: '21521' abstract: - lang: eng text: Fast-emitting scintillators are essential for advanced diagnostic techniques, yet many suffer from low radiation attenuation. This trade-off is particularly pronounced in polymer scintillators, which, despite their fast emission, exhibit low density and low atomic numbers, limiting the radiation attenuation factor, resulting in low detection efficiency. Here, we overcome this limitation by creating a heterostructure scintillator of alternating nanometric layers, combining fast light-emitting polymer scintillator layers and transparent stopping layers with a high radiation attenuation factor. The nanolayer thicknesses are tuned to optimize the penetration depth of recoil electrons in active emissive layers, maximizing the conversion of X-rays to visible light. This design increases light output by up to 1.5 times and enhances imaging resolution by a factor of 2 compared to homogeneous polymer scintillators due to the ability to use thinner samples. These results demonstrate the potential of heterostructure scintillators as next-generation detector materials, overcoming the limitations of homogeneous scintillators. article_processing_charge: No article_type: letter_note author: - first_name: Orr full_name: Be’er, Orr last_name: Be’er - first_name: Avner full_name: Shultzman, Avner last_name: Shultzman - first_name: Rotem full_name: Strassberg, Rotem last_name: Strassberg - first_name: Georgy full_name: Dosovitskiy, Georgy last_name: Dosovitskiy - first_name: Noam full_name: Veber, Noam last_name: Veber - first_name: Roman full_name: Schuetz, Roman last_name: Schuetz - first_name: Charles full_name: Roques-Carmes, Charles id: e2e68fc9-6505-11ef-a541-eb4e72cc3e82 last_name: Roques-Carmes - first_name: Ido full_name: Kaminer, Ido last_name: Kaminer - first_name: Yehonadav full_name: Bekenstein, Yehonadav last_name: Bekenstein citation: ama: Be’er O, Shultzman A, Strassberg R, et al. Heterostructure nanoscintillator for matching radiation absorbing layers with fast light-emitting layers. Nano Letters. 2025;25(9):3422-3429. doi:10.1021/acs.nanolett.4c05353 apa: Be’er, O., Shultzman, A., Strassberg, R., Dosovitskiy, G., Veber, N., Schuetz, R., … Bekenstein, Y. (2025). Heterostructure nanoscintillator for matching radiation absorbing layers with fast light-emitting layers. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.4c05353 chicago: Be’er, Orr, Avner Shultzman, Rotem Strassberg, Georgy Dosovitskiy, Noam Veber, Roman Schuetz, Charles Roques-Carmes, Ido Kaminer, and Yehonadav Bekenstein. “Heterostructure Nanoscintillator for Matching Radiation Absorbing Layers with Fast Light-Emitting Layers.” Nano Letters. American Chemical Society, 2025. https://doi.org/10.1021/acs.nanolett.4c05353. ieee: O. Be’er et al., “Heterostructure nanoscintillator for matching radiation absorbing layers with fast light-emitting layers,” Nano Letters, vol. 25, no. 9. American Chemical Society, pp. 3422–3429, 2025. ista: Be’er O, Shultzman A, Strassberg R, Dosovitskiy G, Veber N, Schuetz R, Roques-Carmes C, Kaminer I, Bekenstein Y. 2025. Heterostructure nanoscintillator for matching radiation absorbing layers with fast light-emitting layers. Nano Letters. 25(9), 3422–3429. mla: Be’er, Orr, et al. “Heterostructure Nanoscintillator for Matching Radiation Absorbing Layers with Fast Light-Emitting Layers.” Nano Letters, vol. 25, no. 9, American Chemical Society, 2025, pp. 3422–29, doi:10.1021/acs.nanolett.4c05353. short: O. Be’er, A. Shultzman, R. Strassberg, G. Dosovitskiy, N. Veber, R. Schuetz, C. Roques-Carmes, I. Kaminer, Y. Bekenstein, Nano Letters 25 (2025) 3422–3429. date_created: 2026-03-30T12:22:47Z date_published: 2025-02-19T00:00:00Z date_updated: 2026-04-27T10:05:22Z day: '19' ddc: - '530' doi: 10.1021/acs.nanolett.4c05353 extern: '1' external_id: pmid: - '39969821' fulldoi: https://doi.org/10.1021/acs.nanolett.4c05353 intvolume: ' 25' issue: '9' keyword: - Scintillator - Heterostructure - Thin film - X-ray imaging - X-ray detector language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/acs.nanolett.4c05353 month: '02' oa: 1 oa_version: Published Version page: 3422-3429 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Heterostructure nanoscintillator for matching radiation absorbing layers with fast light-emitting layers tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 25 year: '2025' ... --- OA_place: publisher OA_type: hybrid PlanS_conform: '1' _id: '20221' abstract: - lang: eng text: We describe the design, synthesis, and single-molecule junction conductance of π-electron molecules bearing both radial and linear π-conjugation pathways, whereby cycloparaphenylene (CPP) radial cores are π-extended linearly with aryl alkyne substituents as models for previously reported CPP-arylene ethynylene conjugated polymers. Although radially and linearly conjugated molecules have been studied previously in isolation as junction-bridging molecular electronic units, this is the first study to examine molecules where both topologies are operative. Our results reveal that the presence of radial CPP components within the junction-spanning pathway leads to a reduction in the conductance of the backbone compared to model linear phenyl substituents. Through tight-binding and DFT-based calculations, we attribute this conductance change to intramolecular van der Waals (vdW) interactions between the CPP ring and the junction-spanning arylene-ethynylene molecular backbone. These interactions induce changes in the dihedral angles of the backbone, leading to a reduced overlap of π orbitals within the molecular junction. acknowledgement: We thank Prof. Volker Blum for useful discussions. We thank the Department of Energy Office of Basic Energy Science (DE-SC0019017) and the National Science Foundation (NSF-DMR 2241180) for supporting this research. This work was supported in part by the Institute of Science and Technology Austria. article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Wanzhuo full_name: Shi, Wanzhuo id: a3010425-87c8-11f0-8106-bec32bea74da last_name: Shi - first_name: Mengjiao full_name: Wang, Mengjiao last_name: Wang - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: John D. full_name: Tovar, John D. last_name: Tovar citation: ama: Shi W, Wang M, Venkataraman L, Tovar JD. Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction. Nano Letters. 2025;25(31):12101-12106. doi:10.1021/acs.nanolett.5c03693 apa: Shi, W., Wang, M., Venkataraman, L., & Tovar, J. D. (2025). Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.5c03693 chicago: Shi, Wanzhuo, Mengjiao Wang, Latha Venkataraman, and John D. Tovar. “Single-Molecule Conductance through Hybrid Radially and Linearly π-Conjugated Macromolecules Reveals an Unusual Intramolecular π-Interaction.” Nano Letters. American Chemical Society, 2025. https://doi.org/10.1021/acs.nanolett.5c03693. ieee: W. Shi, M. Wang, L. Venkataraman, and J. D. Tovar, “Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction,” Nano Letters, vol. 25, no. 31. American Chemical Society, pp. 12101–12106, 2025. ista: Shi W, Wang M, Venkataraman L, Tovar JD. 2025. Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction. Nano Letters. 25(31), 12101–12106. mla: Shi, Wanzhuo, et al. “Single-Molecule Conductance through Hybrid Radially and Linearly π-Conjugated Macromolecules Reveals an Unusual Intramolecular π-Interaction.” Nano Letters, vol. 25, no. 31, American Chemical Society, 2025, pp. 12101–06, doi:10.1021/acs.nanolett.5c03693. short: W. Shi, M. Wang, L. Venkataraman, J.D. Tovar, Nano Letters 25 (2025) 12101–12106. corr_author: '1' date_created: 2025-08-24T22:01:30Z date_published: 2025-07-24T00:00:00Z date_updated: 2025-09-30T14:23:39Z day: '24' ddc: - '540' department: - _id: LaVe doi: 10.1021/acs.nanolett.5c03693 external_id: isi: - '001537145800001' pmid: - '40707400' file: - access_level: open_access checksum: bfc167d8904c0c47c3de2a8d0ec699d5 content_type: application/pdf creator: dernst date_created: 2025-09-02T06:50:11Z date_updated: 2025-09-02T06:50:11Z file_id: '20269' file_name: 2025_NanoLetters_Shi.pdf file_size: 3212706 relation: main_file success: 1 file_date_updated: 2025-09-02T06:50:11Z fulldoi: https://doi.org/10.1021/acs.nanolett.5c03693 has_accepted_license: '1' intvolume: ' 25' isi: 1 issue: '31' language: - iso: eng month: '07' oa: 1 oa_version: Published Version page: 12101-12106 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Single-molecule conductance through hybrid radially and linearly π-conjugated macromolecules reveals an unusual intramolecular π-interaction tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 25 year: '2025' ... --- OA_type: closed access _id: '20528' abstract: - lang: eng text: We study single-molecule junction formation of group VIII metallocenes─ferrocene, ruthenocene, and osmocene─with gold (Au) electrodes using the scanning tunneling microscope-based break junction technique. Unlike ferrocene, both ruthenocene and osmocene can form molecular junctions under ambient conditions without chemical linkers. We propose that Au electrodes bind to the metal center and one of the cyclopentadienyl (Cp) rings via a ring-slippage process, forming a molecular junction. Control measurements demonstrate that the metal centers bind to uncoordinated Au exclusively in the +3 oxidation state. Ab initio quantum transport calculations corroborate this mechanism for metallocene junction formation. This work highlights the formation of metal–metal (Ru–Au and Os–Au) bonds in metallocene-based single-molecule devices, challenging the assumption that metallocenes bind exclusively through van der Waals interactions between the Cp ring and the Au electrode. Our findings introduce a method for creating organometallic single-molecule devices with metal–metal bonds, enabling more stable and versatile molecular electronics. article_processing_charge: No article_type: letter_note author: - first_name: Woojung full_name: Lee, Woojung last_name: Lee - first_name: Claudia R. full_name: Prindle, Claudia R. last_name: Prindle - first_name: Wanzhuo full_name: Shi, Wanzhuo last_name: Shi - first_name: Shayan full_name: Louie, Shayan last_name: Louie - first_name: Michael L. full_name: Steigerwald, Michael L. last_name: Steigerwald - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Lee W, Prindle CR, Shi W, Louie S, Steigerwald ML, Venkataraman L. Formation of metallocene single-molecule junctions via metal–metal bonds. Nano Letters. 2025;25(8):3316-3322. doi:10.1021/acs.nanolett.4c06450 apa: Lee, W., Prindle, C. R., Shi, W., Louie, S., Steigerwald, M. L., & Venkataraman, L. (2025). Formation of metallocene single-molecule junctions via metal–metal bonds. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.4c06450 chicago: Lee, Woojung, Claudia R. Prindle, Wanzhuo Shi, Shayan Louie, Michael L. Steigerwald, and Latha Venkataraman. “Formation of Metallocene Single-Molecule Junctions via Metal–Metal Bonds.” Nano Letters. American Chemical Society, 2025. https://doi.org/10.1021/acs.nanolett.4c06450. ieee: W. Lee, C. R. Prindle, W. Shi, S. Louie, M. L. Steigerwald, and L. Venkataraman, “Formation of metallocene single-molecule junctions via metal–metal bonds,” Nano Letters, vol. 25, no. 8. American Chemical Society, pp. 3316–3322, 2025. ista: Lee W, Prindle CR, Shi W, Louie S, Steigerwald ML, Venkataraman L. 2025. Formation of metallocene single-molecule junctions via metal–metal bonds. Nano Letters. 25(8), 3316–3322. mla: Lee, Woojung, et al. “Formation of Metallocene Single-Molecule Junctions via Metal–Metal Bonds.” Nano Letters, vol. 25, no. 8, American Chemical Society, 2025, pp. 3316–22, doi:10.1021/acs.nanolett.4c06450. short: W. Lee, C.R. Prindle, W. Shi, S. Louie, M.L. Steigerwald, L. Venkataraman, Nano Letters 25 (2025) 3316–3322. date_created: 2025-10-23T12:18:56Z date_published: 2025-02-13T00:00:00Z date_updated: 2025-10-23T13:01:26Z day: '13' doi: 10.1021/acs.nanolett.4c06450 extern: '1' external_id: pmid: - '39945435' fulldoi: https://doi.org/10.1021/acs.nanolett.4c06450 intvolume: ' 25' issue: '8' language: - iso: eng month: '02' oa_version: None page: 3316-3322 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Formation of metallocene single-molecule junctions via metal–metal bonds type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 25 year: '2025' ... --- OA_place: publisher OA_type: hybrid PlanS_conform: '1' _id: '20331' abstract: - lang: eng text: Here, we present a foundational investigation of charge transport through three BODIPY-based molecules using the scanning tunneling microscope–break junction (STM-BJ) technique. We demonstrate that molecular conductance through the BODIPY core can be measured by introducing aurophilic linkers at the 2,6-positions. By varying these linkers, we systematically modulate the frontier molecular orbital energies and fine-tune transport behavior. Our experimental results are supported by DFT-based calculations, which feature a new computationally efficient correction to standard PBE-level transmission predictions. Together, these findings establish the viability of BODIPY-based systems for molecular junction applications and lay the groundwork for future studies of their single-molecule optoelectronic properties. acknowledged_ssus: - _id: LifeSc - _id: MassSpec acknowledgement: We thank the National Science Foundation (No. NSF-DMR 2241180) for supporting this research. Synthetic work at Columbia was funded in part by the Air Force Office of Scientific Research (AFOSR), under Grant No. FA9550-22-1-0389. The cryoprobe on the 500 MHz NMR instrument used in this research at Columbia was purchased through the NIH Award No. S10OD026749. This work was supported in part by the Institute of Science and Technology Austria. HRMS sample preparation, analysis, and data evaluation were performed by Aikaterina Paraskevopoulou, Mass Spec Service, LSF, ISTA. article_processing_charge: Yes (via OA deal) article_type: letter_note author: - first_name: Emma full_name: York, Emma id: 08dde91e-8e0a-11f0-9d7d-9e8d80864f16 last_name: York - first_name: Ilana full_name: Stone, Ilana last_name: Stone - first_name: Wanzhuo full_name: Shi, Wanzhuo id: a3010425-87c8-11f0-8106-bec32bea74da last_name: Shi - first_name: Xavier full_name: Roy, Xavier last_name: Roy - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: York E, Stone I, Shi W, Roy X, Venkataraman L. Tuning conductance in BODIPY-based single-molecule junctions. Nano Letters. 2025;25(36):13697-13702. doi:10.1021/acs.nanolett.5c03764 apa: York, E., Stone, I., Shi, W., Roy, X., & Venkataraman, L. (2025). Tuning conductance in BODIPY-based single-molecule junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.5c03764 chicago: York, Emma, Ilana Stone, Wanzhuo Shi, Xavier Roy, and Latha Venkataraman. “Tuning Conductance in BODIPY-Based Single-Molecule Junctions.” Nano Letters. American Chemical Society, 2025. https://doi.org/10.1021/acs.nanolett.5c03764. ieee: E. York, I. Stone, W. Shi, X. Roy, and L. Venkataraman, “Tuning conductance in BODIPY-based single-molecule junctions,” Nano Letters, vol. 25, no. 36. American Chemical Society, pp. 13697–13702, 2025. ista: York E, Stone I, Shi W, Roy X, Venkataraman L. 2025. Tuning conductance in BODIPY-based single-molecule junctions. Nano Letters. 25(36), 13697–13702. mla: York, Emma, et al. “Tuning Conductance in BODIPY-Based Single-Molecule Junctions.” Nano Letters, vol. 25, no. 36, American Chemical Society, 2025, pp. 13697–702, doi:10.1021/acs.nanolett.5c03764. short: E. York, I. Stone, W. Shi, X. Roy, L. Venkataraman, Nano Letters 25 (2025) 13697–13702. corr_author: '1' das_tickbox: '1' date_created: 2025-09-10T05:48:29Z date_published: 2025-08-25T00:00:00Z date_updated: 2026-07-28T09:53:54Z day: '25' ddc: - '540' department: - _id: LaVe doi: 10.1021/acs.nanolett.5c03764 external_id: isi: - '001557017200001' pmid: - '40855728' file: - access_level: open_access checksum: bac881601e1f33c3cf8f51d50b958e68 content_type: application/pdf creator: dernst date_created: 2025-12-30T09:39:44Z date_updated: 2025-12-30T09:39:44Z file_id: '20910' file_name: 2025_NanoLetters_York.pdf file_size: 3144989 relation: main_file success: 1 file_date_updated: 2025-12-30T09:39:44Z fulldoi: https://doi.org/10.1021/acs.nanolett.5c03764 has_accepted_license: '1' intvolume: ' 25' isi: 1 issue: '36' language: - iso: eng month: '08' oa: 1 oa_version: Published Version page: 13697-13702 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Tuning conductance in BODIPY-based single-molecule junctions tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 25 year: '2025' ... --- OA_place: repository OA_type: green _id: '19026' abstract: - lang: eng text: The back-action damping of mechanical motion by electromagnetic radiation is typically overwhelmed by internal loss channels unless demanding experimental ingredients such as superconducting resonators, high-quality optical cavities, or large magnetic fields are employed. Here we demonstrate the first room temperature, cavity-free, all-electric device where back-action damping exceeds internal loss, enabled by a mechanically compliant parallel-plate capacitor with a nanoscale plate separation and an aspect ratio exceeding 1,000. The device has 4 orders of magnitude lower insertion loss than a comparable commercial quartz crystal and achieves a position imprecision rivaling optical interferometers. With the help of a back-action isolation scheme, we observe radiative cooling of mechanical motion by a remote cryogenic load. This work provides a technologically accessible route to high-precision sensing, transduction, and signal processing. acknowledged_ssus: - _id: M-Shop - _id: NanoFab acknowledgement: We thank Carissa Kumar and Vibha Padmanabhan for assistance in comparing performance with devices across the literature. We thank Andrew Cleland for helpful comments on this work. We are grateful for support from the Miba Machine Shop and Nanofabrication facility at IST Austria. This work was supported by the Austrian FWF grant P33692–N and includes a recipient of a DOC Fellowship of the Austrian Academy of Sciences (DOC – No. 26088) at the Institute of Science and Technology, Austria. article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Denise full_name: Puglia, Denise id: 4D495994-AE37-11E9-AC72-31CAE5697425 last_name: Puglia orcid: 0000-0003-1144-2763 - first_name: Rachel H full_name: Odessey, Rachel H id: 9a7a5123-8972-11ed-ae7b-dd1f2af457bd last_name: Odessey - first_name: Peter full_name: Burns, Peter last_name: Burns - first_name: Niklas full_name: Luhmann, Niklas last_name: Luhmann - first_name: Silvan full_name: Schmid, Silvan last_name: Schmid - first_name: Andrew P full_name: Higginbotham, Andrew P id: 4AD6785A-F248-11E8-B48F-1D18A9856A87 last_name: Higginbotham orcid: 0000-0003-2607-2363 citation: ama: Puglia D, Odessey RH, Burns P, Luhmann N, Schmid S, Higginbotham AP. Room temperature, cavity-free capacitive strong coupling to mechanical motion. Nano Letters. 2025;25(7):2749-2755. doi:10.1021/acs.nanolett.4c05796 apa: Puglia, D., Odessey, R. H., Burns, P., Luhmann, N., Schmid, S., & Higginbotham, A. P. (2025). Room temperature, cavity-free capacitive strong coupling to mechanical motion. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.4c05796 chicago: Puglia, Denise, Rachel H Odessey, Peter Burns, Niklas Luhmann, Silvan Schmid, and Andrew P Higginbotham. “Room Temperature, Cavity-Free Capacitive Strong Coupling to Mechanical Motion.” Nano Letters. American Chemical Society, 2025. https://doi.org/10.1021/acs.nanolett.4c05796. ieee: D. Puglia, R. H. Odessey, P. Burns, N. Luhmann, S. Schmid, and A. P. Higginbotham, “Room temperature, cavity-free capacitive strong coupling to mechanical motion,” Nano Letters, vol. 25, no. 7. American Chemical Society, pp. 2749–2755, 2025. ista: Puglia D, Odessey RH, Burns P, Luhmann N, Schmid S, Higginbotham AP. 2025. Room temperature, cavity-free capacitive strong coupling to mechanical motion. Nano Letters. 25(7), 2749–2755. mla: Puglia, Denise, et al. “Room Temperature, Cavity-Free Capacitive Strong Coupling to Mechanical Motion.” Nano Letters, vol. 25, no. 7, American Chemical Society, 2025, pp. 2749–55, doi:10.1021/acs.nanolett.4c05796. short: D. Puglia, R.H. Odessey, P. Burns, N. Luhmann, S. Schmid, A.P. Higginbotham, Nano Letters 25 (2025) 2749–2755. corr_author: '1' date_created: 2025-02-16T23:02:34Z date_published: 2025-02-06T00:00:00Z date_updated: 2026-10-21T14:08:09Z day: '06' department: - _id: AnHi doi: 10.1021/acs.nanolett.4c05796 external_id: arxiv: - '2407.15314' isi: - '001415246000001' fulldoi: https://doi.org/10.1021/acs.nanolett.4c05796 intvolume: ' 25' isi: 1 issue: '7' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2407.15314 month: '02' oa: 1 oa_version: Preprint page: 2749-2755 project: - _id: 0aa3608a-070f-11eb-9043-e9cd8a2bd931 grant_number: P33692 name: Cavity electromechanics across a quantum phase transition - _id: 62843413-2b32-11ec-9570-c4ec6eabfae7 grant_number: '26088' name: Surface Charge and Tunneling Multi-Mode Imaging publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' related_material: record: - id: '18143' relation: earlier_version status: public scopus_import: '1' status: public title: Room temperature, cavity-free capacitive strong coupling to mechanical motion type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 25 year: '2025' ... --- OA_type: closed access _id: '17857' abstract: - lang: eng text: Gold–dithiol molecular junctions have been studied both experimentally and theoretically. However, the nature of the gold–thiolate bond as it relates to the solvent has seldom been investigated. It is known that solvents can impact the electronic structure of single-molecule junctions, but the correlation between the solvent and dithiol-linked single-molecule junction conductance is not well understood. We study molecular junctions formed with thiol-terminated phenylenes from both 1-chloronaphthalene and 1-bromonaphthalene solutions. We find that the most probable conductance and the distribution of conductances are both affected by the solvent. First-principles calculations show that junction conductance depends on the binding configurations (adatom, atop, and bridge) of the thiolate on the Au surface, as has been shown previously. More importantly, we find that brominated solvents can restrict the binding of thiols to specific Au sites. This mechanism offers new insight into the effects of the solvent environment on covalent bonding in molecular junctions. article_processing_charge: No article_type: letter_note author: - first_name: Johnson full_name: Dalmieda, Johnson last_name: Dalmieda - first_name: Wanzhuo full_name: Shi, Wanzhuo last_name: Shi - first_name: Liang full_name: Li, Liang last_name: Li - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Dalmieda J, Shi W, Li L, Venkataraman L. Solvent-mediated modulation of the Au–S bond in dithiol molecular junctions. Nano Letters. 2024;24(2):703-707. doi:10.1021/acs.nanolett.3c04058 apa: Dalmieda, J., Shi, W., Li, L., & Venkataraman, L. (2024). Solvent-mediated modulation of the Au–S bond in dithiol molecular junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.3c04058 chicago: Dalmieda, Johnson, Wanzhuo Shi, Liang Li, and Latha Venkataraman. “Solvent-Mediated Modulation of the Au–S Bond in Dithiol Molecular Junctions.” Nano Letters. American Chemical Society, 2024. https://doi.org/10.1021/acs.nanolett.3c04058. ieee: J. Dalmieda, W. Shi, L. Li, and L. Venkataraman, “Solvent-mediated modulation of the Au–S bond in dithiol molecular junctions,” Nano Letters, vol. 24, no. 2. American Chemical Society, pp. 703–707, 2024. ista: Dalmieda J, Shi W, Li L, Venkataraman L. 2024. Solvent-mediated modulation of the Au–S bond in dithiol molecular junctions. Nano Letters. 24(2), 703–707. mla: Dalmieda, Johnson, et al. “Solvent-Mediated Modulation of the Au–S Bond in Dithiol Molecular Junctions.” Nano Letters, vol. 24, no. 2, American Chemical Society, 2024, pp. 703–07, doi:10.1021/acs.nanolett.3c04058. short: J. Dalmieda, W. Shi, L. Li, L. Venkataraman, Nano Letters 24 (2024) 703–707. date_created: 2024-09-06T12:46:39Z date_published: 2024-01-04T00:00:00Z date_updated: 2024-11-19T12:50:27Z day: '04' doi: 10.1021/acs.nanolett.3c04058 extern: '1' external_id: pmid: - '38175934' fulldoi: https://doi.org/10.1021/acs.nanolett.3c04058 intvolume: ' 24' issue: '2' language: - iso: eng month: '01' oa_version: None page: 703-707 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Solvent-mediated modulation of the Au–S bond in dithiol molecular junctions type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 24 year: '2024' ... --- OA_type: closed access _id: '17859' abstract: - lang: eng text: The electrostatic environment around nanoscale molecular junctions modulates charge transport; solvents alter this environment. Methods to directly probe solvent effects require correlating measurements of the local electrostatic environment with charge transport across the metal–molecule–metal junction. Here, we measure the conductance and current–voltage characteristics of molecular wires using a scanning tunneling microscope–break junction (STM-BJ) setup in two commonly used solvents. Our results show that the solvent environment induces shifts in molecular conductance, which we quantify, but more importantly we find that the solvent also impacts the magnitude of current rectification in molecular junctions. By incorporating electrochemical impedance spectroscopy into the STM-BJ setup, we measure the capacitance of the dipole layer formed at the metal–solvent interface and show that rectification can be correlated with solvent capacitance. These results provide a method of quantifying the impact of the solvent environment and a path toward improved environmental control of molecular devices. article_processing_charge: No article_type: original author: - first_name: Wanzhuo full_name: Shi, Wanzhuo last_name: Shi - first_name: Julia E. full_name: Greenwald, Julia E. last_name: Greenwald - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Shi W, Greenwald JE, Venkataraman L. Impact of solvent electrostatic environment on molecular junctions probed via electrochemical impedance spectroscopy. Nano Letters. 2024;24(30):9283-9288. doi:10.1021/acs.nanolett.4c02103 apa: Shi, W., Greenwald, J. E., & Venkataraman, L. (2024). Impact of solvent electrostatic environment on molecular junctions probed via electrochemical impedance spectroscopy. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.4c02103 chicago: Shi, Wanzhuo, Julia E. Greenwald, and Latha Venkataraman. “Impact of Solvent Electrostatic Environment on Molecular Junctions Probed via Electrochemical Impedance Spectroscopy.” Nano Letters. American Chemical Society, 2024. https://doi.org/10.1021/acs.nanolett.4c02103. ieee: W. Shi, J. E. Greenwald, and L. Venkataraman, “Impact of solvent electrostatic environment on molecular junctions probed via electrochemical impedance spectroscopy,” Nano Letters, vol. 24, no. 30. American Chemical Society, pp. 9283–9288, 2024. ista: Shi W, Greenwald JE, Venkataraman L. 2024. Impact of solvent electrostatic environment on molecular junctions probed via electrochemical impedance spectroscopy. Nano Letters. 24(30), 9283–9288. mla: Shi, Wanzhuo, et al. “Impact of Solvent Electrostatic Environment on Molecular Junctions Probed via Electrochemical Impedance Spectroscopy.” Nano Letters, vol. 24, no. 30, American Chemical Society, 2024, pp. 9283–88, doi:10.1021/acs.nanolett.4c02103. short: W. Shi, J.E. Greenwald, L. Venkataraman, Nano Letters 24 (2024) 9283–9288. date_created: 2024-09-06T12:48:34Z date_published: 2024-07-18T00:00:00Z date_updated: 2024-11-20T15:24:37Z day: '18' doi: 10.1021/acs.nanolett.4c02103 extern: '1' external_id: pmid: - '39023006' fulldoi: https://doi.org/10.1021/acs.nanolett.4c02103 intvolume: ' 24' issue: '30' language: - iso: eng month: '07' oa_version: None page: 9283-9288 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Impact of solvent electrostatic environment on molecular junctions probed via electrochemical impedance spectroscopy type: journal_article user_id: 68b8ca59-c5b3-11ee-8790-cd641c68093d volume: 24 year: '2024' ... --- _id: '13094' abstract: - lang: eng text: 'Endocytosis is a key cellular process involved in the uptake of nutrients, pathogens, or the therapy of diseases. Most studies have focused on spherical objects, whereas biologically relevant shapes can be highly anisotropic. In this letter, we use an experimental model system based on Giant Unilamellar Vesicles (GUVs) and dumbbell-shaped colloidal particles to mimic and investigate the first stage of the passive endocytic process: engulfment of an anisotropic object by the membrane. Our model has specific ligand–receptor interactions realized by mobile receptors on the vesicles and immobile ligands on the particles. Through a series of experiments, theory, and molecular dynamics simulations, we quantify the wrapping process of anisotropic dumbbells by GUVs and identify distinct stages of the wrapping pathway. We find that the strong curvature variation in the neck of the dumbbell as well as membrane tension are crucial in determining both the speed of wrapping and the final states.' acknowledgement: We sincerely thank Casper van der Wel for providing open-source packages for tracking, as well as Yogesh Shelke for his assistance with PAA coverslip preparation and Rachel Doherty for her assistance with particle functionalization. We are grateful to Felix Frey for useful discussions on the theory of membrane wrapping. B.M. and A.Š. acknowledge funding by the European Union’s Horizon 2020 research and innovation programme (ERC Starting Grant No. 802960). article_processing_charge: No article_type: letter_note author: - first_name: Ali full_name: Azadbakht, Ali last_name: Azadbakht - first_name: Billie full_name: Meadowcroft, Billie id: a4725fd6-932b-11ed-81e2-c098c7f37ae1 last_name: Meadowcroft orcid: 0000-0003-3441-1337 - first_name: Thijs full_name: Varkevisser, Thijs last_name: Varkevisser - first_name: Anđela full_name: Šarić, Anđela id: bf63d406-f056-11eb-b41d-f263a6566d8b last_name: Šarić orcid: 0000-0002-7854-2139 - first_name: Daniela J. full_name: Kraft, Daniela J. last_name: Kraft citation: ama: Azadbakht A, Meadowcroft B, Varkevisser T, Šarić A, Kraft DJ. Wrapping pathways of anisotropic dumbbell particles by Giant Unilamellar Vesicles. Nano Letters. 2023;23(10):4267–4273. doi:10.1021/acs.nanolett.3c00375 apa: Azadbakht, A., Meadowcroft, B., Varkevisser, T., Šarić, A., & Kraft, D. J. (2023). Wrapping pathways of anisotropic dumbbell particles by Giant Unilamellar Vesicles. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.3c00375 chicago: Azadbakht, Ali, Billie Meadowcroft, Thijs Varkevisser, Anđela Šarić, and Daniela J. Kraft. “Wrapping Pathways of Anisotropic Dumbbell Particles by Giant Unilamellar Vesicles.” Nano Letters. American Chemical Society, 2023. https://doi.org/10.1021/acs.nanolett.3c00375. ieee: A. Azadbakht, B. Meadowcroft, T. Varkevisser, A. Šarić, and D. J. Kraft, “Wrapping pathways of anisotropic dumbbell particles by Giant Unilamellar Vesicles,” Nano Letters, vol. 23, no. 10. American Chemical Society, pp. 4267–4273, 2023. ista: Azadbakht A, Meadowcroft B, Varkevisser T, Šarić A, Kraft DJ. 2023. Wrapping pathways of anisotropic dumbbell particles by Giant Unilamellar Vesicles. Nano Letters. 23(10), 4267–4273. mla: Azadbakht, Ali, et al. “Wrapping Pathways of Anisotropic Dumbbell Particles by Giant Unilamellar Vesicles.” Nano Letters, vol. 23, no. 10, American Chemical Society, 2023, pp. 4267–4273, doi:10.1021/acs.nanolett.3c00375. short: A. Azadbakht, B. Meadowcroft, T. Varkevisser, A. Šarić, D.J. Kraft, Nano Letters 23 (2023) 4267–4273. date_created: 2023-05-28T22:01:03Z date_published: 2023-05-04T00:00:00Z date_updated: 2025-04-14T07:59:30Z day: '04' ddc: - '540' department: - _id: AnSa doi: 10.1021/acs.nanolett.3c00375 ec_funded: 1 external_id: isi: - '000985481400001' pmid: - '37141427' file: - access_level: open_access checksum: 9734d4c617bab3578ef62916b764547a content_type: application/pdf creator: dernst date_created: 2023-05-30T07:55:31Z date_updated: 2023-05-30T07:55:31Z file_id: '13100' file_name: 2023_NanoLetters_Azadbakht.pdf file_size: 3654910 relation: main_file success: 1 file_date_updated: 2023-05-30T07:55:31Z fulldoi: https://doi.org/10.1021/acs.nanolett.3c00375 has_accepted_license: '1' intvolume: ' 23' isi: 1 issue: '10' language: - iso: eng month: '05' oa: 1 oa_version: Published Version page: 4267–4273 pmid: 1 project: - _id: eba2549b-77a9-11ec-83b8-a81e493eae4e call_identifier: H2020 grant_number: '802960' name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines' publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Wrapping pathways of anisotropic dumbbell particles by Giant Unilamellar Vesicles tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 23 year: '2023' ... --- OA_type: closed access _id: '17865' abstract: - lang: eng text: Understanding how molecular geometry affects the electronic properties of single-molecule junctions experimentally has been challenging. Typically, metal–molecule–metal junctions are measured using a break-junction method where electrode separation is mechanically evolving during measurement. Here, to probe the impact of the junction geometry on conductance, we apply a sinusoidal modulation to the molecular junction electrode position. Simultaneously, we probe the nonlinearity of the current–voltage characteristics of each junction through a modulation in the applied bias at a different frequency. In turn, we show that junctions formed with molecules that have different molecule–electrode interfaces exhibit statistically distinguishable Fourier-transformed conductances. In particular, we find a marked bias dependence for the modulation of junctions where transmission is mediated thorough the van der Waals (vdW) interaction. We attribute our findings to voltage-modulated vdW interactions at the single-molecule level. article_processing_charge: No article_type: original author: - first_name: Yujing full_name: Wei, Yujing last_name: Wei - first_name: Liang full_name: Li, Liang last_name: Li - first_name: Julia E. full_name: Greenwald, Julia E. last_name: Greenwald - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Wei Y, Li L, Greenwald JE, Venkataraman L. Voltage-modulated van der waals interaction in single-molecule junctions. Nano Letters. 2023;23(2):567-572. doi:10.1021/acs.nanolett.2c04098 apa: Wei, Y., Li, L., Greenwald, J. E., & Venkataraman, L. (2023). Voltage-modulated van der waals interaction in single-molecule junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.2c04098 chicago: Wei, Yujing, Liang Li, Julia E. Greenwald, and Latha Venkataraman. “Voltage-Modulated van Der Waals Interaction in Single-Molecule Junctions.” Nano Letters. American Chemical Society, 2023. https://doi.org/10.1021/acs.nanolett.2c04098. ieee: Y. Wei, L. Li, J. E. Greenwald, and L. Venkataraman, “Voltage-modulated van der waals interaction in single-molecule junctions,” Nano Letters, vol. 23, no. 2. American Chemical Society, pp. 567–572, 2023. ista: Wei Y, Li L, Greenwald JE, Venkataraman L. 2023. Voltage-modulated van der waals interaction in single-molecule junctions. Nano Letters. 23(2), 567–572. mla: Wei, Yujing, et al. “Voltage-Modulated van Der Waals Interaction in Single-Molecule Junctions.” Nano Letters, vol. 23, no. 2, American Chemical Society, 2023, pp. 567–72, doi:10.1021/acs.nanolett.2c04098. short: Y. Wei, L. Li, J.E. Greenwald, L. Venkataraman, Nano Letters 23 (2023) 567–572. date_created: 2024-09-06T12:58:41Z date_published: 2023-01-05T00:00:00Z date_updated: 2024-11-25T14:49:19Z day: '05' doi: 10.1021/acs.nanolett.2c04098 extern: '1' external_id: pmid: - '36602221' fulldoi: https://doi.org/10.1021/acs.nanolett.2c04098 intvolume: ' 23' issue: '2' language: - iso: eng month: '01' oa_version: None page: 567-572 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Voltage-modulated van der waals interaction in single-molecule junctions type: journal_article user_id: 68b8ca59-c5b3-11ee-8790-cd641c68093d volume: 23 year: '2023' ... --- _id: '11379' abstract: - lang: eng text: Bernal-stacked multilayer graphene is a versatile platform to explore quantum transport phenomena and interaction physics due to its exceptional tunability via electrostatic gating. For instance, upon applying a perpendicular electric field, its band structure exhibits several off-center Dirac points (so-called Dirac gullies) in each valley. Here, the formation of Dirac gullies and the interaction-induced breakdown of gully coherence is explored via magnetotransport measurements in high-quality Bernal-stacked (ABA) trilayer graphene. At zero magnetic field, multiple Lifshitz transitions indicating the formation of Dirac gullies are identified. In the quantum Hall regime, the emergence of Dirac gullies is evident as an increase in Landau level degeneracy. When tuning both electric and magnetic fields, electron–electron interactions can be controllably enhanced until, beyond critical electric and magnetic fields, the gully degeneracy is eventually lifted. The arising correlated ground state is consistent with a previously predicted nematic phase that spontaneously breaks the rotational gully symmetry. acknowledgement: "We acknowledge funding from the Center for Nanoscience (CeNS) and by the Deutsche\r\nForschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy-EXC-2111-390814868 (MCQST). K.W. and T.T. acknowledge support from the Elemental Strategy Initiative conducted by the MEXT, Japan (Grant Number PMXP0112101001) and JSPS KAKENHI (Grant Numbers 19H05790 and JP20H00354)." article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Felix full_name: Winterer, Felix last_name: Winterer - first_name: Anna M. full_name: Seiler, Anna M. last_name: Seiler - first_name: Areg full_name: Ghazaryan, Areg id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87 last_name: Ghazaryan orcid: 0000-0001-9666-3543 - first_name: Fabian R. full_name: Geisenhof, Fabian R. last_name: Geisenhof - first_name: Kenji full_name: Watanabe, Kenji last_name: Watanabe - first_name: Takashi full_name: Taniguchi, Takashi last_name: Taniguchi - first_name: Maksym full_name: Serbyn, Maksym id: 47809E7E-F248-11E8-B48F-1D18A9856A87 last_name: Serbyn orcid: 0000-0002-2399-5827 - first_name: R. Thomas full_name: Weitz, R. Thomas last_name: Weitz citation: ama: Winterer F, Seiler AM, Ghazaryan A, et al. Spontaneous gully-polarized quantum hall states in ABA trilayer graphene. Nano Letters. 2022;22(8):3317-3322. doi:10.1021/acs.nanolett.2c00435 apa: Winterer, F., Seiler, A. M., Ghazaryan, A., Geisenhof, F. R., Watanabe, K., Taniguchi, T., … Weitz, R. T. (2022). Spontaneous gully-polarized quantum hall states in ABA trilayer graphene. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.2c00435 chicago: Winterer, Felix, Anna M. Seiler, Areg Ghazaryan, Fabian R. Geisenhof, Kenji Watanabe, Takashi Taniguchi, Maksym Serbyn, and R. Thomas Weitz. “Spontaneous Gully-Polarized Quantum Hall States in ABA Trilayer Graphene.” Nano Letters. American Chemical Society, 2022. https://doi.org/10.1021/acs.nanolett.2c00435. ieee: F. Winterer et al., “Spontaneous gully-polarized quantum hall states in ABA trilayer graphene,” Nano Letters, vol. 22, no. 8. American Chemical Society, pp. 3317–3322, 2022. ista: Winterer F, Seiler AM, Ghazaryan A, Geisenhof FR, Watanabe K, Taniguchi T, Serbyn M, Weitz RT. 2022. Spontaneous gully-polarized quantum hall states in ABA trilayer graphene. Nano Letters. 22(8), 3317–3322. mla: Winterer, Felix, et al. “Spontaneous Gully-Polarized Quantum Hall States in ABA Trilayer Graphene.” Nano Letters, vol. 22, no. 8, American Chemical Society, 2022, pp. 3317–22, doi:10.1021/acs.nanolett.2c00435. short: F. Winterer, A.M. Seiler, A. Ghazaryan, F.R. Geisenhof, K. Watanabe, T. Taniguchi, M. Serbyn, R.T. Weitz, Nano Letters 22 (2022) 3317–3322. date_created: 2022-05-15T22:01:41Z date_published: 2022-04-27T00:00:00Z date_updated: 2025-06-11T13:47:08Z day: '27' department: - _id: MaSe doi: 10.1021/acs.nanolett.2c00435 external_id: arxiv: - '2109.00556' isi: - '000809056900019' pmid: - '35405074' fulldoi: https://doi.org/10.1021/acs.nanolett.2c00435 intvolume: ' 22' isi: 1 issue: '8' language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.48550/arXiv.2109.00556' month: '04' oa: 1 oa_version: Preprint page: 3317-3322 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Spontaneous gully-polarized quantum hall states in ABA trilayer graphene type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 22 year: '2022' ... --- _id: '17872' abstract: - lang: eng text: Coherent tunneling electron transport through molecular wires has been theoretically established as a temperature-independent process. Although several experimental studies have shown counter examples, robust models to describe this temperature dependence have not been thoroughly developed. Here, we demonstrate that dynamic molecular structures lead to temperature-dependent conductance within coherent tunneling regime. Using a custom-built variable-temperature scanning tunneling microscopy break-junction instrument, we find that oligo[n]phenylenes exhibit clear temperature-dependent conductance. Our calculations reveal that thermally activated dihedral rotations allow these molecular wires to have a higher probability of being in a planar conformation. As the tunneling occurs primarily through π-orbitals, enhanced coplanarization substantially increases the time-averaged tunneling probability. These calculations are consistent with the observation that more rotational pivot points in longer molecular wires leads to larger temperature-dependence on conductance. These findings reveal that molecular conductance within coherent and off-resonant electron transport regimes can be controlled by manipulating dynamic molecular structure. article_processing_charge: No article_type: letter_note author: - first_name: Woojung full_name: Lee, Woojung last_name: Lee - first_name: Shayan full_name: Louie, Shayan last_name: Louie - first_name: Austin M. full_name: Evans, Austin M. last_name: Evans - first_name: Nicholas M. full_name: Orchanian, Nicholas M. last_name: Orchanian - first_name: Ilana B. full_name: Stone, Ilana B. last_name: Stone - first_name: Boyuan full_name: Zhang, Boyuan last_name: Zhang - first_name: Yujing full_name: Wei, Yujing last_name: Wei - first_name: Xavier full_name: Roy, Xavier last_name: Roy - first_name: Colin full_name: Nuckolls, Colin last_name: Nuckolls - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Lee W, Louie S, Evans AM, et al. Increased molecular conductance in Oligo[n]phenylene wires by thermally enhanced dihedral planarization. Nano Letters. 2022;22(12):4919-4924. doi:10.1021/acs.nanolett.2c01549 apa: Lee, W., Louie, S., Evans, A. M., Orchanian, N. M., Stone, I. B., Zhang, B., … Venkataraman, L. (2022). Increased molecular conductance in Oligo[n]phenylene wires by thermally enhanced dihedral planarization. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.2c01549 chicago: Lee, Woojung, Shayan Louie, Austin M. Evans, Nicholas M. Orchanian, Ilana B. Stone, Boyuan Zhang, Yujing Wei, Xavier Roy, Colin Nuckolls, and Latha Venkataraman. “Increased Molecular Conductance in Oligo[n]Phenylene Wires by Thermally Enhanced Dihedral Planarization.” Nano Letters. American Chemical Society, 2022. https://doi.org/10.1021/acs.nanolett.2c01549. ieee: W. Lee et al., “Increased molecular conductance in Oligo[n]phenylene wires by thermally enhanced dihedral planarization,” Nano Letters, vol. 22, no. 12. American Chemical Society, pp. 4919–4924, 2022. ista: Lee W, Louie S, Evans AM, Orchanian NM, Stone IB, Zhang B, Wei Y, Roy X, Nuckolls C, Venkataraman L. 2022. Increased molecular conductance in Oligo[n]phenylene wires by thermally enhanced dihedral planarization. Nano Letters. 22(12), 4919–4924. mla: Lee, Woojung, et al. “Increased Molecular Conductance in Oligo[n]Phenylene Wires by Thermally Enhanced Dihedral Planarization.” Nano Letters, vol. 22, no. 12, American Chemical Society, 2022, pp. 4919–24, doi:10.1021/acs.nanolett.2c01549. short: W. Lee, S. Louie, A.M. Evans, N.M. Orchanian, I.B. Stone, B. Zhang, Y. Wei, X. Roy, C. Nuckolls, L. Venkataraman, Nano Letters 22 (2022) 4919–4924. date_created: 2024-09-06T13:06:35Z date_published: 2022-05-31T00:00:00Z date_updated: 2024-12-10T09:40:39Z day: '31' doi: 10.1021/acs.nanolett.2c01549 extern: '1' external_id: pmid: - '35640062' fulldoi: https://doi.org/10.1021/acs.nanolett.2c01549 intvolume: ' 22' issue: '12' language: - iso: eng month: '05' oa_version: None page: 4919-4924 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Increased molecular conductance in Oligo[n]phenylene wires by thermally enhanced dihedral planarization type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 22 year: '2022' ... --- _id: '13996' abstract: - lang: eng text: We report the observation of an anomalous nonlinear optical response of the prototypical three-dimensional topological insulator bismuth selenide through the process of high-order harmonic generation. We find that the generation efficiency increases as the laser polarization is changed from linear to elliptical, and it becomes maximum for circular polarization. With the aid of a microscopic theory and a detailed analysis of the measured spectra, we reveal that such anomalous enhancement encodes the characteristic topology of the band structure that originates from the interplay of strong spin–orbit coupling and time-reversal symmetry protection. The implications are in ultrafast probing of topological phase transitions, light-field driven dissipationless electronics, and quantum computation. article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Denitsa Rangelova full_name: Baykusheva, Denitsa Rangelova id: 71b4d059-2a03-11ee-914d-dfa3beed6530 last_name: Baykusheva - first_name: Alexis full_name: Chacón, Alexis last_name: Chacón - first_name: Jian full_name: Lu, Jian last_name: Lu - first_name: Trevor P. full_name: Bailey, Trevor P. last_name: Bailey - first_name: Jonathan A. full_name: Sobota, Jonathan A. last_name: Sobota - first_name: Hadas full_name: Soifer, Hadas last_name: Soifer - first_name: Patrick S. full_name: Kirchmann, Patrick S. last_name: Kirchmann - first_name: Costel full_name: Rotundu, Costel last_name: Rotundu - first_name: Ctirad full_name: Uher, Ctirad last_name: Uher - first_name: Tony F. full_name: Heinz, Tony F. last_name: Heinz - first_name: David A. full_name: Reis, David A. last_name: Reis - first_name: Shambhu full_name: Ghimire, Shambhu last_name: Ghimire citation: ama: Baykusheva DR, Chacón A, Lu J, et al. All-optical probe of three-dimensional topological insulators based on high-harmonic generation by circularly polarized laser fields. Nano Letters. 2021;21(21):8970-8978. doi:10.1021/acs.nanolett.1c02145 apa: Baykusheva, D. R., Chacón, A., Lu, J., Bailey, T. P., Sobota, J. A., Soifer, H., … Ghimire, S. (2021). All-optical probe of three-dimensional topological insulators based on high-harmonic generation by circularly polarized laser fields. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.1c02145 chicago: Baykusheva, Denitsa Rangelova, Alexis Chacón, Jian Lu, Trevor P. Bailey, Jonathan A. Sobota, Hadas Soifer, Patrick S. Kirchmann, et al. “All-Optical Probe of Three-Dimensional Topological Insulators Based on High-Harmonic Generation by Circularly Polarized Laser Fields.” Nano Letters. American Chemical Society, 2021. https://doi.org/10.1021/acs.nanolett.1c02145. ieee: D. R. Baykusheva et al., “All-optical probe of three-dimensional topological insulators based on high-harmonic generation by circularly polarized laser fields,” Nano Letters, vol. 21, no. 21. American Chemical Society, pp. 8970–8978, 2021. ista: Baykusheva DR, Chacón A, Lu J, Bailey TP, Sobota JA, Soifer H, Kirchmann PS, Rotundu C, Uher C, Heinz TF, Reis DA, Ghimire S. 2021. All-optical probe of three-dimensional topological insulators based on high-harmonic generation by circularly polarized laser fields. Nano Letters. 21(21), 8970–8978. mla: Baykusheva, Denitsa Rangelova, et al. “All-Optical Probe of Three-Dimensional Topological Insulators Based on High-Harmonic Generation by Circularly Polarized Laser Fields.” Nano Letters, vol. 21, no. 21, American Chemical Society, 2021, pp. 8970–78, doi:10.1021/acs.nanolett.1c02145. short: D.R. Baykusheva, A. Chacón, J. Lu, T.P. Bailey, J.A. Sobota, H. Soifer, P.S. Kirchmann, C. Rotundu, C. Uher, T.F. Heinz, D.A. Reis, S. Ghimire, Nano Letters 21 (2021) 8970–8978. date_created: 2023-08-09T13:09:15Z date_published: 2021-10-22T00:00:00Z date_updated: 2024-10-14T12:26:13Z day: '22' doi: 10.1021/acs.nanolett.1c02145 extern: '1' external_id: arxiv: - '2109.15291' pmid: - '34676752' fulldoi: https://doi.org/10.1021/acs.nanolett.1c02145 intvolume: ' 21' issue: '21' keyword: - Mechanical Engineering - Condensed Matter Physics - General Materials Science - General Chemistry - Bioengineering language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/acs.nanolett.1c02145 month: '10' oa: 1 oa_version: Published Version page: 8970-8978 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: All-optical probe of three-dimensional topological insulators based on high-harmonic generation by circularly polarized laser fields type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 21 year: '2021' ... --- _id: '10866' abstract: - lang: eng text: Recent discoveries have shown that, when two layers of van der Waals (vdW) materials are superimposed with a relative twist angle between them, the electronic properties of the coupled system can be dramatically altered. Here, we demonstrate that a similar concept can be extended to the optics realm, particularly to propagating phonon polaritons–hybrid light-matter interactions. To do this, we fabricate stacks composed of two twisted slabs of a vdW crystal (α-MoO3) supporting anisotropic phonon polaritons (PhPs), and image the propagation of the latter when launched by localized sources. Our images reveal that, under a critical angle, the PhPs isofrequency curve undergoes a topological transition, in which the propagation of PhPs is strongly guided (canalization regime) along predetermined directions without geometric spreading. These results demonstrate a new degree of freedom (twist angle) for controlling the propagation of polaritons at the nanoscale with potential for nanoimaging, (bio)-sensing, or heat management. acknowledgement: "J.T.-G. and G.Á.-P. acknowledge support through the Severo Ochoa Program from the\r\nGovernment of the Principality of Asturias (nos. PA-18-PF-BP17-126 and PA20-PF-BP19-053,\r\nrespectively). J. M-S acknowledges financial support through the Ramón y Cajal Program from\r\nthe Government of Spain (RYC2018-026196-I). A.Y.N. acknowledges the Spanish Ministry of\r\nScience, Innovation and Universities (national project no. MAT201788358-C3-3-R). P.A.-G.\r\nacknowledges support from the European Research Council under starting grant no. 715496,\r\n2DNANOPTICA." article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Jiahua full_name: Duan, Jiahua last_name: Duan - first_name: Nathaniel full_name: Capote-Robayna, Nathaniel last_name: Capote-Robayna - first_name: Javier full_name: Taboada-Gutiérrez, Javier last_name: Taboada-Gutiérrez - first_name: Gonzalo full_name: Álvarez-Pérez, Gonzalo last_name: Álvarez-Pérez - first_name: Ivan full_name: Prieto Gonzalez, Ivan id: 2A307FE2-F248-11E8-B48F-1D18A9856A87 last_name: Prieto Gonzalez orcid: 0000-0002-7370-5357 - first_name: Javier full_name: Martín-Sánchez, Javier last_name: Martín-Sánchez - first_name: Alexey Y. full_name: Nikitin, Alexey Y. last_name: Nikitin - first_name: Pablo full_name: Alonso-González, Pablo last_name: Alonso-González citation: ama: 'Duan J, Capote-Robayna N, Taboada-Gutiérrez J, et al. Twisted nano-optics: Manipulating light at the nanoscale with twisted phonon polaritonic slabs. Nano Letters. 2020;20(7):5323-5329. doi:10.1021/acs.nanolett.0c01673' apa: 'Duan, J., Capote-Robayna, N., Taboada-Gutiérrez, J., Álvarez-Pérez, G., Prieto Gonzalez, I., Martín-Sánchez, J., … Alonso-González, P. (2020). Twisted nano-optics: Manipulating light at the nanoscale with twisted phonon polaritonic slabs. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c01673' chicago: 'Duan, Jiahua, Nathaniel Capote-Robayna, Javier Taboada-Gutiérrez, Gonzalo Álvarez-Pérez, Ivan Prieto Gonzalez, Javier Martín-Sánchez, Alexey Y. Nikitin, and Pablo Alonso-González. “Twisted Nano-Optics: Manipulating Light at the Nanoscale with Twisted Phonon Polaritonic Slabs.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c01673.' ieee: 'J. Duan et al., “Twisted nano-optics: Manipulating light at the nanoscale with twisted phonon polaritonic slabs,” Nano Letters, vol. 20, no. 7. American Chemical Society, pp. 5323–5329, 2020.' ista: 'Duan J, Capote-Robayna N, Taboada-Gutiérrez J, Álvarez-Pérez G, Prieto Gonzalez I, Martín-Sánchez J, Nikitin AY, Alonso-González P. 2020. Twisted nano-optics: Manipulating light at the nanoscale with twisted phonon polaritonic slabs. Nano Letters. 20(7), 5323–5329.' mla: 'Duan, Jiahua, et al. “Twisted Nano-Optics: Manipulating Light at the Nanoscale with Twisted Phonon Polaritonic Slabs.” Nano Letters, vol. 20, no. 7, American Chemical Society, 2020, pp. 5323–29, doi:10.1021/acs.nanolett.0c01673.' short: J. Duan, N. Capote-Robayna, J. Taboada-Gutiérrez, G. Álvarez-Pérez, I. Prieto Gonzalez, J. Martín-Sánchez, A.Y. Nikitin, P. Alonso-González, Nano Letters 20 (2020) 5323–5329. date_created: 2022-03-18T11:37:38Z date_published: 2020-07-01T00:00:00Z date_updated: 2023-09-05T12:05:58Z day: '01' department: - _id: NanoFab doi: 10.1021/acs.nanolett.0c01673 external_id: arxiv: - '2004.14599' isi: - '000548893200082' pmid: - '32530634' fulldoi: https://doi.org/10.1021/acs.nanolett.0c01673 intvolume: ' 20' isi: 1 issue: '7' keyword: - Mechanical Engineering - Condensed Matter Physics - General Materials Science - General Chemistry - Bioengineering language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2004.14599 month: '07' oa: 1 oa_version: Preprint page: 5323-5329 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Twisted nano-optics: Manipulating light at the nanoscale with twisted phonon polaritonic slabs' type: journal_article user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1 volume: 20 year: '2020' ... --- _id: '7663' abstract: - lang: eng text: Wood, as the most abundant carbon dioxide storing bioresource, is currently driven beyond its traditional use through creative innovations and nanotechnology. For many properties the micro- and nanostructure plays a crucial role and one key challenge is control and detection of chemical and physical processes in the confined microstructure and nanopores of the wooden cell wall. In this study, correlative Raman and atomic force microscopy show high potential for tracking in situ molecular rearrangement of wood polymers during compression. More water molecules (interpreted as wider cellulose microfibril distances) and disentangling of hemicellulose chains are detected in the opened cell wall regions, whereas an increase of lignin is revealed in the compressed areas. These results support a new more “loose” cell wall model based on flexible lignin nanodomains and advance our knowledge of the molecular reorganization during deformation of wood for optimized processing and utilization. article_processing_charge: No article_type: original author: - first_name: Martin full_name: Felhofer, Martin last_name: Felhofer - first_name: Peter full_name: Bock, Peter last_name: Bock - first_name: Adya full_name: Singh, Adya last_name: Singh - first_name: Batirtze full_name: Prats Mateu, Batirtze id: 299FE892-F248-11E8-B48F-1D18A9856A87 last_name: Prats Mateu - first_name: Ronald full_name: Zirbs, Ronald last_name: Zirbs - first_name: Notburga full_name: Gierlinger, Notburga last_name: Gierlinger citation: ama: Felhofer M, Bock P, Singh A, Prats Mateu B, Zirbs R, Gierlinger N. Wood deformation leads to rearrangement of molecules at the nanoscale. Nano Letters. 2020;20(4):2647-2653. doi:10.1021/acs.nanolett.0c00205 apa: Felhofer, M., Bock, P., Singh, A., Prats Mateu, B., Zirbs, R., & Gierlinger, N. (2020). Wood deformation leads to rearrangement of molecules at the nanoscale. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c00205 chicago: Felhofer, Martin, Peter Bock, Adya Singh, Batirtze Prats Mateu, Ronald Zirbs, and Notburga Gierlinger. “Wood Deformation Leads to Rearrangement of Molecules at the Nanoscale.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c00205. ieee: M. Felhofer, P. Bock, A. Singh, B. Prats Mateu, R. Zirbs, and N. Gierlinger, “Wood deformation leads to rearrangement of molecules at the nanoscale,” Nano Letters, vol. 20, no. 4. American Chemical Society, pp. 2647–2653, 2020. ista: Felhofer M, Bock P, Singh A, Prats Mateu B, Zirbs R, Gierlinger N. 2020. Wood deformation leads to rearrangement of molecules at the nanoscale. Nano Letters. 20(4), 2647–2653. mla: Felhofer, Martin, et al. “Wood Deformation Leads to Rearrangement of Molecules at the Nanoscale.” Nano Letters, vol. 20, no. 4, American Chemical Society, 2020, pp. 2647–53, doi:10.1021/acs.nanolett.0c00205. short: M. Felhofer, P. Bock, A. Singh, B. Prats Mateu, R. Zirbs, N. Gierlinger, Nano Letters 20 (2020) 2647–2653. date_created: 2020-04-19T22:00:54Z date_published: 2020-04-08T00:00:00Z date_updated: 2026-04-02T14:26:44Z day: '08' ddc: - '530' department: - _id: MaLo doi: 10.1021/acs.nanolett.0c00205 external_id: isi: - '000526413400055' pmid: - '32196350' file: - access_level: open_access checksum: fe46146a9c4c620592a1932a8599069e content_type: application/pdf creator: dernst date_created: 2020-04-20T10:43:36Z date_updated: 2020-07-14T12:48:01Z file_id: '7667' file_name: 2020_NanoLetters_Felhofer.pdf file_size: 7108014 relation: main_file file_date_updated: 2020-07-14T12:48:01Z fulldoi: https://doi.org/10.1021/acs.nanolett.0c00205 has_accepted_license: '1' intvolume: ' 20' isi: 1 issue: '4' language: - iso: eng month: '04' oa: 1 oa_version: Published Version page: 2647-2653 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Wood deformation leads to rearrangement of molecules at the nanoscale tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: ba8df636-2132-11f1-aed0-ed93e2281fdd volume: 20 year: '2020' ... --- _id: '8203' abstract: - lang: eng text: Using inelastic cotunneling spectroscopy we observe a zero field splitting within the spin triplet manifold of Ge hut wire quantum dots. The states with spin ±1 in the confinement direction are energetically favored by up to 55 μeV compared to the spin 0 triplet state because of the strong spin–orbit coupling. The reported effect should be observable in a broad class of strongly confined hole quantum-dot systems and might need to be considered when operating hole spin qubits. acknowledged_ssus: - _id: NanoFab - _id: M-Shop acknowledgement: "We acknowledge G. Burkard, V. N. Golovach, C. Kloeffel, D.Loss, P. Rabl, and M. Rancič ́ for helpful discussions. We\r\nfurther acknowledge T. Adletzberger, J. Aguilera, T. Asenov, S. Bagiante, T. Menner, L. Shafeek, P. Taus, P. Traunmüller, and D. Waldhausl for their invaluable assistance. This research was supported by the Scientific Service Units of IST Austria through resources provided by the MIBA Machine Shop and the nanofabrication facility, by the FWF-P 32235 project, by the National Key R&D Program of China (2016YFA0301701, 2016YFA0300600), and by the European Union’s Horizon 2020 research and innovation program under grant agreement no. 862046. All data of this publication are available at 10.15479/AT:ISTA:7689." article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Georgios full_name: Katsaros, Georgios id: 38DB5788-F248-11E8-B48F-1D18A9856A87 last_name: Katsaros orcid: 0000-0001-8342-202X - first_name: Josip full_name: Kukucka, Josip id: 3F5D8856-F248-11E8-B48F-1D18A9856A87 last_name: Kukucka - first_name: Lada full_name: Vukušić, Lada id: 31E9F056-F248-11E8-B48F-1D18A9856A87 last_name: Vukušić orcid: 0000-0003-2424-8636 - first_name: Hannes full_name: Watzinger, Hannes id: 35DF8E50-F248-11E8-B48F-1D18A9856A87 last_name: Watzinger - first_name: Fei full_name: Gao, Fei last_name: Gao - first_name: Ting full_name: Wang, Ting last_name: Wang orcid: 0000-0002-4619-9575 - first_name: Jian-Jun full_name: Zhang, Jian-Jun last_name: Zhang - first_name: Karsten full_name: Held, Karsten last_name: Held citation: ama: Katsaros G, Kukucka J, Vukušić L, et al. Zero field splitting of heavy-hole states in quantum dots. Nano Letters. 2020;20(7):5201-5206. doi:10.1021/acs.nanolett.0c01466 apa: Katsaros, G., Kukucka, J., Vukušić, L., Watzinger, H., Gao, F., Wang, T., … Held, K. (2020). Zero field splitting of heavy-hole states in quantum dots. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c01466 chicago: Katsaros, Georgios, Josip Kukucka, Lada Vukušić, Hannes Watzinger, Fei Gao, Ting Wang, Jian-Jun Zhang, and Karsten Held. “Zero Field Splitting of Heavy-Hole States in Quantum Dots.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c01466. ieee: G. Katsaros et al., “Zero field splitting of heavy-hole states in quantum dots,” Nano Letters, vol. 20, no. 7. American Chemical Society, pp. 5201–5206, 2020. ista: Katsaros G, Kukucka J, Vukušić L, Watzinger H, Gao F, Wang T, Zhang J-J, Held K. 2020. Zero field splitting of heavy-hole states in quantum dots. Nano Letters. 20(7), 5201–5206. mla: Katsaros, Georgios, et al. “Zero Field Splitting of Heavy-Hole States in Quantum Dots.” Nano Letters, vol. 20, no. 7, American Chemical Society, 2020, pp. 5201–06, doi:10.1021/acs.nanolett.0c01466. short: G. Katsaros, J. Kukucka, L. Vukušić, H. Watzinger, F. Gao, T. Wang, J.-J. Zhang, K. Held, Nano Letters 20 (2020) 5201–5206. corr_author: '1' date_created: 2020-08-06T09:25:04Z date_published: 2020-06-01T00:00:00Z date_updated: 2025-04-15T08:39:16Z day: '01' ddc: - '530' department: - _id: GeKa doi: 10.1021/acs.nanolett.0c01466 ec_funded: 1 external_id: isi: - '000548893200066' pmid: - '32479090' file: - access_level: open_access content_type: application/pdf creator: dernst date_created: 2020-08-06T09:35:37Z date_updated: 2020-08-06T09:35:37Z file_id: '8204' file_name: 2020_NanoLetters_Katsaros.pdf file_size: 3308906 relation: main_file success: 1 file_date_updated: 2020-08-06T09:35:37Z fulldoi: https://doi.org/10.1021/acs.nanolett.0c01466 has_accepted_license: '1' intvolume: ' 20' isi: 1 issue: '7' language: - iso: eng month: '06' oa: 1 oa_version: Published Version page: 5201-5206 pmid: 1 project: - _id: 237B3DA4-32DE-11EA-91FC-C7463DDC885E call_identifier: FWF grant_number: P32235 name: Towards scalable hut wire quantum devices - _id: 237E5020-32DE-11EA-91FC-C7463DDC885E call_identifier: H2020 grant_number: '862046' name: TOPOLOGICALLY PROTECTED AND SCALABLE QUANTUM BITS publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' related_material: record: - id: '7689' relation: research_data status: public scopus_import: '1' status: public title: Zero field splitting of heavy-hole states in quantum dots tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1 volume: 20 year: '2020' ... --- OA_type: closed access _id: '17902' abstract: - lang: eng text: Probing structural changes of a molecule induced by charge transfer is important for understanding the physicochemical properties of molecules and developing new electronic devices. Here, we interrogate the structural changes of a single diketopyrrolopyrrole (DPP) molecule induced by charge transport at a high bias using scanning tunneling microscope break junction (STM-BJ) techniques. Specifically, we demonstrate that application of a high bias increases the average nonresonant conductance of single Au–DPP–Au junctions. We infer from the increased conductance that resonant charge transport induces planarization of the molecular backbone. We further show that this conformational planarization is assisted by thermally activated junction reorganization. The planarization only occurs under specific electronic conditions, which we rationalize by ab initio calculations. These results emphasize the need for a comprehensive view of single-molecule junctions which includes both the electronic properties and structure of the molecules and the electrodes when designing electrically driven single-molecule motors. article_processing_charge: No article_type: letter_note author: - first_name: Yaping full_name: Zang, Yaping last_name: Zang - first_name: E-Dean full_name: Fung, E-Dean last_name: Fung - first_name: Tianren full_name: Fu, Tianren last_name: Fu - first_name: Suman full_name: Ray, Suman last_name: Ray - first_name: Marc H. full_name: Garner, Marc H. last_name: Garner - first_name: Anders full_name: Borges, Anders last_name: Borges - first_name: Michael L. full_name: Steigerwald, Michael L. last_name: Steigerwald - first_name: Satish full_name: Patil, Satish last_name: Patil - first_name: Gemma full_name: Solomon, Gemma last_name: Solomon - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Zang Y, Fung E-D, Fu T, et al. Voltage-induced single-molecule junction planarization. Nano Letters. 2020;21(1):673-679. doi:10.1021/acs.nanolett.0c04260 apa: Zang, Y., Fung, E.-D., Fu, T., Ray, S., Garner, M. H., Borges, A., … Venkataraman, L. (2020). Voltage-induced single-molecule junction planarization. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c04260 chicago: Zang, Yaping, E-Dean Fung, Tianren Fu, Suman Ray, Marc H. Garner, Anders Borges, Michael L. Steigerwald, Satish Patil, Gemma Solomon, and Latha Venkataraman. “Voltage-Induced Single-Molecule Junction Planarization.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c04260. ieee: Y. Zang et al., “Voltage-induced single-molecule junction planarization,” Nano Letters, vol. 21, no. 1. American Chemical Society, pp. 673–679, 2020. ista: Zang Y, Fung E-D, Fu T, Ray S, Garner MH, Borges A, Steigerwald ML, Patil S, Solomon G, Venkataraman L. 2020. Voltage-induced single-molecule junction planarization. Nano Letters. 21(1), 673–679. mla: Zang, Yaping, et al. “Voltage-Induced Single-Molecule Junction Planarization.” Nano Letters, vol. 21, no. 1, American Chemical Society, 2020, pp. 673–79, doi:10.1021/acs.nanolett.0c04260. short: Y. Zang, E.-D. Fung, T. Fu, S. Ray, M.H. Garner, A. Borges, M.L. Steigerwald, S. Patil, G. Solomon, L. Venkataraman, Nano Letters 21 (2020) 673–679. date_created: 2024-09-09T06:48:30Z date_published: 2020-12-18T00:00:00Z date_updated: 2024-12-10T10:26:22Z day: '18' doi: 10.1021/acs.nanolett.0c04260 extern: '1' external_id: pmid: - '33337876' fulldoi: https://doi.org/10.1021/acs.nanolett.0c04260 intvolume: ' 21' issue: '1' language: - iso: eng month: '12' oa_version: None page: 673-679 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Voltage-induced single-molecule junction planarization type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 21 year: '2020' ... --- OA_type: closed access _id: '17903' abstract: - lang: eng text: Light emission from tunnel junctions are a potential photon source for nanophotonic applications. Surprisingly, the photons emitted can have energies exceeding the energy supplied to the electrons by the bias. Three mechanisms for generating these so-called overbias photons have been proposed, but the relationship between these mechanisms has not been clarified. In this work, we argue that multielectron processes provide the best framework for understanding overbias light emission in tunnel junctions. Experimentally, we demonstrate for the first time that the superlinear dependence of emission on conductance predicted by this theory is robust to the temperature of the tunnel junction, indicating that tunnel junctions are a promising candidate for electrically driven broadband photon sources. article_processing_charge: No article_type: letter_note author: - first_name: E-Dean full_name: Fung, E-Dean last_name: Fung - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: 'Fung E-D, Venkataraman L. Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes. Nano Letters. 2020;20(12):8912-8918. doi:10.1021/acs.nanolett.0c03994' apa: 'Fung, E.-D., & Venkataraman, L. (2020). Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c03994' chicago: 'Fung, E-Dean, and Latha Venkataraman. “Too Cool for Blackbody Radiation: Overbias Photon Emission in Ambient STM Due to Multielectron Processes.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c03994.' ieee: 'E.-D. Fung and L. Venkataraman, “Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes,” Nano Letters, vol. 20, no. 12. American Chemical Society, pp. 8912–8918, 2020.' ista: 'Fung E-D, Venkataraman L. 2020. Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes. Nano Letters. 20(12), 8912–8918.' mla: 'Fung, E. Dean, and Latha Venkataraman. “Too Cool for Blackbody Radiation: Overbias Photon Emission in Ambient STM Due to Multielectron Processes.” Nano Letters, vol. 20, no. 12, American Chemical Society, 2020, pp. 8912–18, doi:10.1021/acs.nanolett.0c03994.' short: E.-D. Fung, L. Venkataraman, Nano Letters 20 (2020) 8912–8918. date_created: 2024-09-09T07:12:19Z date_published: 2020-11-18T00:00:00Z date_updated: 2024-12-10T10:28:52Z day: '18' doi: 10.1021/acs.nanolett.0c03994 extern: '1' external_id: pmid: - '33206534' fulldoi: https://doi.org/10.1021/acs.nanolett.0c03994 intvolume: ' 20' issue: '12' language: - iso: eng month: '11' oa_version: None page: 8912-8918 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ... --- OA_type: closed access _id: '17906' abstract: - lang: eng text: One-dimensional sp-hybridized carbon wires, including cumulenes and polyynes, can be regarded as finite versions of carbynes. They are likely to be good candidates for molecular-scale conducting wires as they are predicted to have a high-conductance. In this study, we first characterize the single-molecule conductance of a series of cumulenes and polyynes with a backbone ranging in length from 4 to 8 carbon atoms, including [7]cumulene, the longest cumulenic carbon wire studied to date for molecular electronics. We observe different length dependence of conductance when comparing these two forms of carbon wires. Polyynes exhibit conductance decays with increasing molecular length, while cumulenes show a conductance increase with increasing molecular length. Their distinct conducting behaviors are attributed to their different bond length alternation, which is supported by theoretical calculations. This study confirms the long-standing theoretical predictions on sp-hybridized carbon wires and demonstrates that cumulenes can form highly conducting molecular wires. article_processing_charge: No article_type: letter_note author: - first_name: Yaping full_name: Zang, Yaping last_name: Zang - first_name: Tianren full_name: Fu, Tianren last_name: Fu - first_name: Qi full_name: Zou, Qi last_name: Zou - first_name: Fay full_name: Ng, Fay last_name: Ng - first_name: Hexing full_name: Li, Hexing last_name: Li - first_name: Michael L. full_name: Steigerwald, Michael L. last_name: Steigerwald - first_name: Colin full_name: Nuckolls, Colin last_name: Nuckolls - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Zang Y, Fu T, Zou Q, et al. Cumulene wires display increasing conductance with increasing length. Nano Letters. 2020;20(11):8415-8419. doi:10.1021/acs.nanolett.0c03794 apa: Zang, Y., Fu, T., Zou, Q., Ng, F., Li, H., Steigerwald, M. L., … Venkataraman, L. (2020). Cumulene wires display increasing conductance with increasing length. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c03794 chicago: Zang, Yaping, Tianren Fu, Qi Zou, Fay Ng, Hexing Li, Michael L. Steigerwald, Colin Nuckolls, and Latha Venkataraman. “Cumulene Wires Display Increasing Conductance with Increasing Length.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c03794. ieee: Y. Zang et al., “Cumulene wires display increasing conductance with increasing length,” Nano Letters, vol. 20, no. 11. American Chemical Society, pp. 8415–8419, 2020. ista: Zang Y, Fu T, Zou Q, Ng F, Li H, Steigerwald ML, Nuckolls C, Venkataraman L. 2020. Cumulene wires display increasing conductance with increasing length. Nano Letters. 20(11), 8415–8419. mla: Zang, Yaping, et al. “Cumulene Wires Display Increasing Conductance with Increasing Length.” Nano Letters, vol. 20, no. 11, American Chemical Society, 2020, pp. 8415–19, doi:10.1021/acs.nanolett.0c03794. short: Y. Zang, T. Fu, Q. Zou, F. Ng, H. Li, M.L. Steigerwald, C. Nuckolls, L. Venkataraman, Nano Letters 20 (2020) 8415–8419. date_created: 2024-09-09T07:16:20Z date_published: 2020-10-23T00:00:00Z date_updated: 2024-12-10T10:41:40Z day: '23' doi: 10.1021/acs.nanolett.0c03794 extern: '1' external_id: pmid: - '33095021' fulldoi: https://doi.org/10.1021/acs.nanolett.0c03794 intvolume: ' 20' issue: '11' language: - iso: eng month: '10' oa_version: None page: 8415-8419 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Cumulene wires display increasing conductance with increasing length type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ... --- OA_place: repository OA_type: green _id: '17908' abstract: - lang: eng text: Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted some interest as functional elements of molecular-scale devices. Here we investigate the impact of the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction conductance. Measurements indicate that the conductance of the ferrocene derivative, which is suppressed by 2 orders of magnitude as compared to a fully conjugated analogue, can be modulated by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects of the Fano type that arise from the hybridization of localized metal-based d-orbitals and the delocalized ligand-based π-system. By rotation of the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally. article_processing_charge: No article_type: letter_note author: - first_name: María full_name: Camarasa-Gómez, María last_name: Camarasa-Gómez - first_name: Daniel full_name: Hernangómez-Pérez, Daniel last_name: Hernangómez-Pérez - first_name: Michael S. full_name: Inkpen, Michael S. last_name: Inkpen - first_name: Giacomo full_name: Lovat, Giacomo last_name: Lovat - first_name: E-Dean full_name: Fung, E-Dean last_name: Fung - first_name: Xavier full_name: Roy, Xavier last_name: Roy - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: Ferdinand full_name: Evers, Ferdinand last_name: Evers citation: ama: Camarasa-Gómez M, Hernangómez-Pérez D, Inkpen MS, et al. Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. Nano Letters. 2020;20(9):6381-6386. doi:10.1021/acs.nanolett.0c01956 apa: Camarasa-Gómez, M., Hernangómez-Pérez, D., Inkpen, M. S., Lovat, G., Fung, E.-D., Roy, X., … Evers, F. (2020). Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c01956 chicago: Camarasa-Gómez, María, Daniel Hernangómez-Pérez, Michael S. Inkpen, Giacomo Lovat, E-Dean Fung, Xavier Roy, Latha Venkataraman, and Ferdinand Evers. “Mechanically Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c01956. ieee: M. Camarasa-Gómez et al., “Mechanically tunable quantum interference in ferrocene-based single-molecule junctions,” Nano Letters, vol. 20, no. 9. American Chemical Society, pp. 6381–6386, 2020. ista: Camarasa-Gómez M, Hernangómez-Pérez D, Inkpen MS, Lovat G, Fung E-D, Roy X, Venkataraman L, Evers F. 2020. Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. Nano Letters. 20(9), 6381–6386. mla: Camarasa-Gómez, María, et al. “Mechanically Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions.” Nano Letters, vol. 20, no. 9, American Chemical Society, 2020, pp. 6381–86, doi:10.1021/acs.nanolett.0c01956. short: M. Camarasa-Gómez, D. Hernangómez-Pérez, M.S. Inkpen, G. Lovat, E.-D. Fung, X. Roy, L. Venkataraman, F. Evers, Nano Letters 20 (2020) 6381–6386. date_created: 2024-09-09T07:18:19Z date_published: 2020-08-03T00:00:00Z date_updated: 2024-12-10T10:49:18Z day: '03' doi: 10.1021/acs.nanolett.0c01956 extern: '1' external_id: pmid: - '32787164' fulldoi: https://doi.org/10.1021/acs.nanolett.0c01956 intvolume: ' 20' issue: '9' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.26434/chemrxiv.12252059.v1 month: '08' oa: 1 oa_version: Preprint page: 6381-6386 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Mechanically tunable quantum interference in ferrocene-based single-molecule junctions type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ...