--- _id: '17673' abstract: - lang: eng text: Accurate forward modeling of weak lensing (WL) observables from cosmological parameters is necessary for upcoming galaxy surveys. Because WL probes structures in the non-linear regime, analytical forward modeling is very challenging, if not impossible. Numerical simulations of WL features rely on ray-tracing through the outputs of N-body simulations, which requires knowledge of the gravitational potential and accurate solvers for light ray trajectories. A less accurate procedure, based on the Born approximation, only requires knowledge of the density field, and can be implemented more efficiently and at a lower computational cost. In this work, we use simulations to show that deviations of the Born-approximated convergence power spectrum, skewness and kurtosis from their fully ray--traced counterparts are consistent with the smallest non-trivial O(Φ3) post-Born corrections (so-called geodesic and lens-lens terms). Our results imply a cancellation among the larger O(Φ4) (and higher order) terms, consistent with previous analytic work. We also find that cosmological parameter bias induced by the Born approximated power spectrum is negligible even for an LSST-like survey, once galaxy shape noise is considered. When considering higher order statistics such as the κ skewness and kurtosis, however, we find significant bias of up to 2.5σ. Using the LensTools software suite, we show that the Born approximation saves a factor of 4 in computing time with respect to the full ray-tracing in reconstructing the convergence. article_number: '123503' article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Andrea full_name: Petri, Andrea last_name: Petri - first_name: Zoltán full_name: Haiman, Zoltán id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36 last_name: Haiman - first_name: Morgan full_name: May, Morgan last_name: May citation: ama: Petri A, Haiman Z, May M. Validity of the Born approximation for beyond Gaussian weak lensing observables. Physical Review D. 2017;95(12). doi:10.1103/physrevd.95.123503 apa: Petri, A., Haiman, Z., & May, M. (2017). Validity of the Born approximation for beyond Gaussian weak lensing observables. Physical Review D. American Physical Society. https://doi.org/10.1103/physrevd.95.123503 chicago: Petri, Andrea, Zoltán Haiman, and Morgan May. “Validity of the Born Approximation for beyond Gaussian Weak Lensing Observables.” Physical Review D. American Physical Society, 2017. https://doi.org/10.1103/physrevd.95.123503. ieee: A. Petri, Z. Haiman, and M. May, “Validity of the Born approximation for beyond Gaussian weak lensing observables,” Physical Review D, vol. 95, no. 12. American Physical Society, 2017. ista: Petri A, Haiman Z, May M. 2017. Validity of the Born approximation for beyond Gaussian weak lensing observables. Physical Review D. 95(12), 123503. mla: Petri, Andrea, et al. “Validity of the Born Approximation for beyond Gaussian Weak Lensing Observables.” Physical Review D, vol. 95, no. 12, 123503, American Physical Society, 2017, doi:10.1103/physrevd.95.123503. short: A. Petri, Z. Haiman, M. May, Physical Review D 95 (2017). date_created: 2024-09-06T07:50:00Z date_published: 2017-06-06T00:00:00Z date_updated: 2024-09-25T08:32:32Z day: '06' doi: 10.1103/physrevd.95.123503 extern: '1' external_id: arxiv: - '1612.00852' intvolume: ' 95' issue: '12' language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.48550/arXiv.1612.00852' month: '06' oa: 1 oa_version: Preprint publication: Physical Review D publication_identifier: issn: - 2470-0010 - 2470-0029 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Validity of the Born approximation for beyond Gaussian weak lensing observables type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 95 year: '2017' ... --- _id: '17696' abstract: - lang: eng text: We utilize cosmological hydrodynamic simulations to study the formation of Population III (Pop III) stars in dark matter halos exposed to strong ionizing radiation. We simulate the formation of three halos subjected to a wide range of ionizing fluxes, and find that for high flux, ionization and photoheating can delay gas collapse and star formation up to halo masses significantly larger than the atomic cooling threshold. The threshold halo mass at which gas first collapses and cools increases with ionizing flux for intermediate values, and saturates at a value approximately an order of magnitude above the atomic cooling threshold for extremely high flux (e.g. ≈5×108 M⊙ at z≈6). This behavior can be understood in terms of photoheating, ionization/recombination, and Lyα cooling in the pressure-supported, self-shielded gas core at the center of the growing dark matter halo. We examine the spherically-averaged radial velocity profiles of collapsing gas and find that a gas mass of up to ≈106 M⊙ can reach the central regions within 3 Myr, providing an upper limit on the amount of massive Pop III stars that can form. The ionizing radiation increases this limit by a factor of a few compared to strong Lyman-Werner (LW) radiation alone. We conclude that the bright HeII 1640 Å emission recently observed from the high-redshift galaxy CR7 cannot be explained by Pop III stars alone. However, in some halos, a sufficient number of Pop III stars may form to be detectable with future telescopes such as the James Webb Space Telescope (JWST). article_processing_charge: No article_type: original author: - first_name: Eli full_name: Visbal, Eli last_name: Visbal - first_name: Greg L. full_name: Bryan, Greg L. last_name: Bryan - first_name: Zoltán full_name: Haiman, Zoltán id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36 last_name: Haiman citation: ama: Visbal E, Bryan GL, Haiman Z. What is the maximum mass of a Population III galaxy? Monthly Notices of the Royal Astronomical Society. 2017;469(2):1456-1465. doi:10.1093/mnras/stx909 apa: Visbal, E., Bryan, G. L., & Haiman, Z. (2017). What is the maximum mass of a Population III galaxy? Monthly Notices of the Royal Astronomical Society. Oxford University Press. https://doi.org/10.1093/mnras/stx909 chicago: Visbal, Eli, Greg L. Bryan, and Zoltán Haiman. “What Is the Maximum Mass of a Population III Galaxy?” Monthly Notices of the Royal Astronomical Society. Oxford University Press, 2017. https://doi.org/10.1093/mnras/stx909. ieee: E. Visbal, G. L. Bryan, and Z. Haiman, “What is the maximum mass of a Population III galaxy?,” Monthly Notices of the Royal Astronomical Society, vol. 469, no. 2. Oxford University Press, pp. 1456–1465, 2017. ista: Visbal E, Bryan GL, Haiman Z. 2017. What is the maximum mass of a Population III galaxy? Monthly Notices of the Royal Astronomical Society. 469(2), 1456–1465. mla: Visbal, Eli, et al. “What Is the Maximum Mass of a Population III Galaxy?” Monthly Notices of the Royal Astronomical Society, vol. 469, no. 2, Oxford University Press, 2017, pp. 1456–65, doi:10.1093/mnras/stx909. short: E. Visbal, G.L. Bryan, Z. Haiman, Monthly Notices of the Royal Astronomical Society 469 (2017) 1456–1465. date_created: 2024-09-06T08:42:13Z date_published: 2017-04-17T00:00:00Z date_updated: 2024-09-25T10:12:10Z day: '17' doi: 10.1093/mnras/stx909 extern: '1' intvolume: ' 469' issue: '2' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1093/mnras/stx909 month: '04' oa: 1 oa_version: Published Version page: 1456-1465 publication: Monthly Notices of the Royal Astronomical Society publication_identifier: issn: - 0035-8711 - 1365-2966 publication_status: published publisher: Oxford University Press quality_controlled: '1' scopus_import: '1' status: public title: What is the maximum mass of a Population III galaxy? type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 469 year: '2017' ... --- _id: '17698' abstract: - lang: eng text: 'Gaseous circumbinary accretion discs provide a promising mechanism to facilitate the mergers of supermassive black holes (SMBHs) in galactic nuclei. We measure the torques exerted on accreting SMBH binaries, using 2D, isothermal, moving-mesh, viscous hydrodynamical simulations of circumbinary accretion discs. Our computational domain includes the entire inner region of the circumbinary disk with the individual black holes (BHs) included as point masses on the grid and a sink prescription to model accretion onto each BH. The BHs each acquire their own well-resolved accretion discs ("minidiscs"). We explore a range of mass removal rates for the sink prescription removing gas from the central regions of the minidiscs. We find that the torque exerted on the binary is primarily gravitational, and dominated by the gas orbiting close behind and ahead of the individual BHs. The torques from the distorted circumbinary disc farther out and from the direct accretion of angular momentum are subdominant. The torques are sensitive to the sink prescription: slower sinks result in more gas accumulating near the BHs and more negative torques, driving the binary to merger more rapidly. For faster sinks, the torques are less negative and eventually turn positive (for unphysically fast sinks). When the minidiscs are modeled as standard alpha discs, our results are insensitive to the choice of sink radius. Scaling the simulations to a binary orbital period tbin = 1yr and background disc accretion rate Mdot = 0.3MEdd in Eddington units, the binary inspirals on a timescale of 3X10^6 years, irrespective of the SMBH masses. For binaries with total mass <10^7Msun, this is shorter than the inspiral time due to gravitational wave (GW) emission alone, implying that gas discs will have a significant impact on the SMBH binary population and can affect the GW signal for Pulsar Timing Arrays.' article_processing_charge: No article_type: original author: - first_name: Yike full_name: Tang, Yike last_name: Tang - first_name: Andrew full_name: MacFadyen, Andrew last_name: MacFadyen - first_name: Zoltán full_name: Haiman, Zoltán id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36 last_name: Haiman citation: ama: Tang Y, MacFadyen A, Haiman Z. On the orbital evolution of supermassive black hole binaries with circumbinary accretion discs. Monthly Notices of the Royal Astronomical Society. 2017;469(4):4258-4267. doi:10.1093/mnras/stx1130 apa: Tang, Y., MacFadyen, A., & Haiman, Z. (2017). On the orbital evolution of supermassive black hole binaries with circumbinary accretion discs. Monthly Notices of the Royal Astronomical Society. Oxford University Press. https://doi.org/10.1093/mnras/stx1130 chicago: Tang, Yike, Andrew MacFadyen, and Zoltán Haiman. “On the Orbital Evolution of Supermassive Black Hole Binaries with Circumbinary Accretion Discs.” Monthly Notices of the Royal Astronomical Society. Oxford University Press, 2017. https://doi.org/10.1093/mnras/stx1130. ieee: Y. Tang, A. MacFadyen, and Z. Haiman, “On the orbital evolution of supermassive black hole binaries with circumbinary accretion discs,” Monthly Notices of the Royal Astronomical Society, vol. 469, no. 4. Oxford University Press, pp. 4258–4267, 2017. ista: Tang Y, MacFadyen A, Haiman Z. 2017. On the orbital evolution of supermassive black hole binaries with circumbinary accretion discs. Monthly Notices of the Royal Astronomical Society. 469(4), 4258–4267. mla: Tang, Yike, et al. “On the Orbital Evolution of Supermassive Black Hole Binaries with Circumbinary Accretion Discs.” Monthly Notices of the Royal Astronomical Society, vol. 469, no. 4, Oxford University Press, 2017, pp. 4258–67, doi:10.1093/mnras/stx1130. short: Y. Tang, A. MacFadyen, Z. Haiman, Monthly Notices of the Royal Astronomical Society 469 (2017) 4258–4267. date_created: 2024-09-06T08:44:11Z date_published: 2017-05-10T00:00:00Z date_updated: 2024-09-25T11:16:50Z day: '10' doi: 10.1093/mnras/stx1130 extern: '1' intvolume: ' 469' issue: '4' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1093/mnras/stx1130 month: '05' oa: 1 oa_version: Published Version page: 4258-4267 publication: Monthly Notices of the Royal Astronomical Society publication_identifier: issn: - 0035-8711 - 1365-2966 publication_status: published publisher: Oxford University Press quality_controlled: '1' scopus_import: '1' status: public title: On the orbital evolution of supermassive black hole binaries with circumbinary accretion discs type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 469 year: '2017' ... --- _id: '17706' abstract: - lang: eng text: The Laser Interferometer Gravitational-Wave Observatory, LIGO, found direct evidence for double black hole binaries emitting gravitational waves. Galactic nuclei are expected to harbor the densest population of stellar-mass black holes. A significant fraction (∼30%) of these black holes can reside in binaries. We examine the fate of the black hole binaries in active galactic nuclei, which get trapped in the inner region of the accretion disk around the central supermassive black hole. We show that binary black holes can migrate into and then rapidly merge within the disk well within a Salpeter time. The binaries may also accrete a significant amount of gas from the disk, well above the Eddington rate. This could lead to detectable X-ray or gamma-ray emission, but would require hyper-Eddington accretion with a few percent radiative efficiency, comparable to thin disks. We discuss implications for gravitational wave observations and black hole population studies. We estimate that Advanced LIGO may detect ∼20 such, gas-induced binary mergers per year. article_number: '165' article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Imre full_name: Bartos, Imre last_name: Bartos - first_name: Bence full_name: Kocsis, Bence last_name: Kocsis - first_name: Zoltán full_name: Haiman, Zoltán id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36 last_name: Haiman - first_name: Szabolcs full_name: Márka, Szabolcs last_name: Márka citation: ama: Bartos I, Kocsis B, Haiman Z, Márka S. Rapid and bright stellar-mass binary black hole mergers in active galactic nuclei. The Astrophysical Journal. 2017;835(2). doi:10.3847/1538-4357/835/2/165 apa: Bartos, I., Kocsis, B., Haiman, Z., & Márka, S. (2017). Rapid and bright stellar-mass binary black hole mergers in active galactic nuclei. The Astrophysical Journal. American Astronomical Society. https://doi.org/10.3847/1538-4357/835/2/165 chicago: Bartos, Imre, Bence Kocsis, Zoltán Haiman, and Szabolcs Márka. “Rapid and Bright Stellar-Mass Binary Black Hole Mergers in Active Galactic Nuclei.” The Astrophysical Journal. American Astronomical Society, 2017. https://doi.org/10.3847/1538-4357/835/2/165. ieee: I. Bartos, B. Kocsis, Z. Haiman, and S. Márka, “Rapid and bright stellar-mass binary black hole mergers in active galactic nuclei,” The Astrophysical Journal, vol. 835, no. 2. American Astronomical Society, 2017. ista: Bartos I, Kocsis B, Haiman Z, Márka S. 2017. Rapid and bright stellar-mass binary black hole mergers in active galactic nuclei. The Astrophysical Journal. 835(2), 165. mla: Bartos, Imre, et al. “Rapid and Bright Stellar-Mass Binary Black Hole Mergers in Active Galactic Nuclei.” The Astrophysical Journal, vol. 835, no. 2, 165, American Astronomical Society, 2017, doi:10.3847/1538-4357/835/2/165. short: I. Bartos, B. Kocsis, Z. Haiman, S. Márka, The Astrophysical Journal 835 (2017). date_created: 2024-09-06T08:51:48Z date_published: 2017-01-27T00:00:00Z date_updated: 2024-09-25T11:46:08Z day: '27' doi: 10.3847/1538-4357/835/2/165 extern: '1' external_id: arxiv: - '1602.03831' intvolume: ' 835' issue: '2' language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.48550/arXiv.1602.03831' month: '01' oa: 1 oa_version: Preprint publication: The Astrophysical Journal publication_identifier: issn: - 0004-637X - 1538-4357 publication_status: published publisher: American Astronomical Society quality_controlled: '1' scopus_import: '1' status: public title: Rapid and bright stellar-mass binary black hole mergers in active galactic nuclei type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 835 year: '2017' ... --- _id: '17707' abstract: - lang: eng text: The gravitational waves (GWs) from a binary black hole (BBH) with masses between 10^4 and 10^7 Msun can be detected with the Laser Interferometer Space Antenna (LISA) once their orbital frequency exceeds 10^-4 - 10^-5 Hz. The binary separation at this stage is approximately a=100 R_g (gravitational radius), and the orbital speed is of order v/c=0.1. We argue that at this stage, the binary will be producing bright electromagnetic (EM) radiation via gas bound to the individual BHs. Both BHs will have their own photospheres in X-ray and possibly also in optical bands. Relativistic Doppler modulations and lensing effects will inevitably imprint periodic variability in the EM light-curve, tracking the phase of the orbital motion, and serving as a template for the GW inspiral waveform. Advanced localization of the source by LISA weeks to months prior to merger will enable a measurement of this EM chirp by wide-field X-ray or optical instruments. A comparison of the phases of the GW and EM chirp signals will help break degeneracies between system parameters, and probe a fractional difference difference Delta v in the propagation speed of photons and gravitons as low as Delta v/c = O(10^-17). article_number: '023004' article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Zoltán full_name: Haiman, Zoltán id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36 last_name: Haiman citation: ama: 'Haiman Z. Electromagnetic chirp of a compact binary black hole: A phase template for the gravitational wave inspiral. Physical Review D. 2017;96(2). doi:10.1103/physrevd.96.023004' apa: 'Haiman, Z. (2017). Electromagnetic chirp of a compact binary black hole: A phase template for the gravitational wave inspiral. Physical Review D. American Physical Society. https://doi.org/10.1103/physrevd.96.023004' chicago: 'Haiman, Zoltán. “Electromagnetic Chirp of a Compact Binary Black Hole: A Phase Template for the Gravitational Wave Inspiral.” Physical Review D. American Physical Society, 2017. https://doi.org/10.1103/physrevd.96.023004.' ieee: 'Z. Haiman, “Electromagnetic chirp of a compact binary black hole: A phase template for the gravitational wave inspiral,” Physical Review D, vol. 96, no. 2. American Physical Society, 2017.' ista: 'Haiman Z. 2017. Electromagnetic chirp of a compact binary black hole: A phase template for the gravitational wave inspiral. Physical Review D. 96(2), 023004.' mla: 'Haiman, Zoltán. “Electromagnetic Chirp of a Compact Binary Black Hole: A Phase Template for the Gravitational Wave Inspiral.” Physical Review D, vol. 96, no. 2, 023004, American Physical Society, 2017, doi:10.1103/physrevd.96.023004.' short: Z. Haiman, Physical Review D 96 (2017). date_created: 2024-09-06T08:52:28Z date_published: 2017-07-14T00:00:00Z date_updated: 2024-09-25T11:53:53Z day: '14' doi: 10.1103/physrevd.96.023004 extern: '1' external_id: arxiv: - '1705.06765' intvolume: ' 96' issue: '2' language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.48550/arXiv.1705.06765' month: '07' oa: 1 oa_version: Preprint publication: Physical Review D publication_identifier: issn: - 2470-0010 - 2470-0029 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Electromagnetic chirp of a compact binary black hole: A phase template for the gravitational wave inspiral' type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 96 year: '2017' ... --- _id: '17708' abstract: - lang: eng text: We explore the sensitivity of weak lensing observables to the expansion history of the universe and to the growth of cosmic structures, as well as the relative contribution of both effects to constraining cosmological parameters. We utilize ray-tracing dark-matter-only N-body simulations and validate our technique by comparing our results for the convergence power spectrum with analytic results from past studies. We then extend our analysis to non-Gaussian observables which cannot be easily treated analytically. We study the convergence (equilateral) bispectrum and two topological observables, lensing peaks and Minkowski functionals, focusing on their sensitivity to the matter density Ωm and the dark energy equation of state w. We find that a cancelation between the geometry and growth effects is a common feature for all observables, and exists at the map level. It weakens the overall sensitivity by up to a factor of 3 and 1.5 for w and Ωm, respectively, with the bispectrum worst affected. However, combining geometry and growth information alleviates the degeneracy between Ωm and w from either effect alone. As a result, the magnitude of marginalized errors remain similar to those obtained from growth-only effects, but with the correlation between the two parameters switching sign. These results shed light on the origin of cosmology-sensitivity of non-Gaussian statistics, and should be useful in optimizing combinations of observables. article_number: '023513' article_processing_charge: No article_type: original arxiv: 1 author: - first_name: José Manuel Zorrilla full_name: Matilla, José Manuel Zorrilla last_name: Matilla - first_name: Zoltán full_name: Haiman, Zoltán id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36 last_name: Haiman - first_name: Andrea full_name: Petri, Andrea last_name: Petri - first_name: Toshiya full_name: Namikawa, Toshiya last_name: Namikawa citation: ama: Matilla JMZ, Haiman Z, Petri A, Namikawa T. Geometry and growth contributions to cosmic shear observables. Physical Review D. 2017;96(2). doi:10.1103/physrevd.96.023513 apa: Matilla, J. M. Z., Haiman, Z., Petri, A., & Namikawa, T. (2017). Geometry and growth contributions to cosmic shear observables. Physical Review D. American Physical Society. https://doi.org/10.1103/physrevd.96.023513 chicago: Matilla, José Manuel Zorrilla, Zoltán Haiman, Andrea Petri, and Toshiya Namikawa. “Geometry and Growth Contributions to Cosmic Shear Observables.” Physical Review D. American Physical Society, 2017. https://doi.org/10.1103/physrevd.96.023513. ieee: J. M. Z. Matilla, Z. Haiman, A. Petri, and T. Namikawa, “Geometry and growth contributions to cosmic shear observables,” Physical Review D, vol. 96, no. 2. American Physical Society, 2017. ista: Matilla JMZ, Haiman Z, Petri A, Namikawa T. 2017. Geometry and growth contributions to cosmic shear observables. Physical Review D. 96(2), 023513. mla: Matilla, José Manuel Zorrilla, et al. “Geometry and Growth Contributions to Cosmic Shear Observables.” Physical Review D, vol. 96, no. 2, 023513, American Physical Society, 2017, doi:10.1103/physrevd.96.023513. short: J.M.Z. Matilla, Z. Haiman, A. Petri, T. Namikawa, Physical Review D 96 (2017). date_created: 2024-09-06T08:53:13Z date_published: 2017-07-13T00:00:00Z date_updated: 2024-09-25T11:57:15Z day: '13' doi: 10.1103/physrevd.96.023513 extern: '1' external_id: arxiv: - '1706.05133' intvolume: ' 96' issue: '2' language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.48550/arXiv.1706.05133' month: '07' oa: 1 oa_version: Preprint publication: Physical Review D publication_identifier: issn: - 2470-0010 - 2470-0029 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: Geometry and growth contributions to cosmic shear observables type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 96 year: '2017' ... --- _id: '17711' abstract: - lang: eng text: The recent discovery of gravitational waves from stellar-mass binary black hole mergers by the Laser Interferometer Gravitational-wave Observatory opened the door to alternative probes of stellar and galactic evolution, cosmology and fundamental physics. Probing the origin of binary black hole mergers will be difficult due to the expected lack of electromagnetic emission and limited localization accuracy. Associations with rare host galaxy types—such as active galactic nuclei—can nevertheless be identified statistically through spatial correlation. Here we establish the feasibility of statistically proving the connection between binary black hole mergers and active galactic nuclei as hosts, even if only a sub-population of mergers originate from active galactic nuclei. Our results are the demonstration that the limited localization of gravitational waves, previously written off as not useful to distinguish progenitor channels, can in fact contribute key information, broadening the range of astrophysical questions probed by binary black hole observations. article_number: '831' article_processing_charge: No article_type: original author: - first_name: I. full_name: Bartos, I. last_name: Bartos - first_name: Zoltán full_name: Haiman, Zoltán id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36 last_name: Haiman - first_name: Z. full_name: Marka, Z. last_name: Marka - first_name: B. D. full_name: Metzger, B. D. last_name: Metzger - first_name: N. C. full_name: Stone, N. C. last_name: Stone - first_name: S. full_name: Marka, S. last_name: Marka citation: ama: Bartos I, Haiman Z, Marka Z, Metzger BD, Stone NC, Marka S. Gravitational-wave localization alone can probe origin of stellar-mass black hole mergers. Nature Communications. 2017;8(1). doi:10.1038/s41467-017-00851-7 apa: Bartos, I., Haiman, Z., Marka, Z., Metzger, B. D., Stone, N. C., & Marka, S. (2017). Gravitational-wave localization alone can probe origin of stellar-mass black hole mergers. Nature Communications. Springer Science and Business Media LLC. https://doi.org/10.1038/s41467-017-00851-7 chicago: Bartos, I., Zoltán Haiman, Z. Marka, B. D. Metzger, N. C. Stone, and S. Marka. “Gravitational-Wave Localization Alone Can Probe Origin of Stellar-Mass Black Hole Mergers.” Nature Communications. Springer Science and Business Media LLC, 2017. https://doi.org/10.1038/s41467-017-00851-7. ieee: I. Bartos, Z. Haiman, Z. Marka, B. D. Metzger, N. C. Stone, and S. Marka, “Gravitational-wave localization alone can probe origin of stellar-mass black hole mergers,” Nature Communications, vol. 8, no. 1. Springer Science and Business Media LLC, 2017. ista: Bartos I, Haiman Z, Marka Z, Metzger BD, Stone NC, Marka S. 2017. Gravitational-wave localization alone can probe origin of stellar-mass black hole mergers. Nature Communications. 8(1), 831. mla: Bartos, I., et al. “Gravitational-Wave Localization Alone Can Probe Origin of Stellar-Mass Black Hole Mergers.” Nature Communications, vol. 8, no. 1, 831, Springer Science and Business Media LLC, 2017, doi:10.1038/s41467-017-00851-7. short: I. Bartos, Z. Haiman, Z. Marka, B.D. Metzger, N.C. Stone, S. Marka, Nature Communications 8 (2017). date_created: 2024-09-06T08:55:48Z date_published: 2017-10-10T00:00:00Z date_updated: 2024-09-25T12:11:24Z day: '10' doi: 10.1038/s41467-017-00851-7 extern: '1' intvolume: ' 8' issue: '1' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1038/s41467-017-00851-7 month: '10' oa: 1 oa_version: Published Version publication: Nature Communications publication_identifier: issn: - 2041-1723 publication_status: published publisher: Springer Science and Business Media LLC quality_controlled: '1' scopus_import: '1' status: public title: Gravitational-wave localization alone can probe origin of stellar-mass black hole mergers type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 8 year: '2017' ... --- _id: '17712' abstract: - lang: eng text: Multi-frequency gravitational wave (GW) observations are useful probes of the formation processes of coalescing stellar-mass binary black holes (BBHs). We discuss the phase drift in the GW inspiral waveform of the merging BBH caused by its center-of-mass acceleration. The acceleration strongly depends on the location where a BBH forms within a galaxy, allowing observations of the early inspiral phase of LIGO-like BBH mergers by the Laser Interferometer Space Antenna (LISA) to test the formation mechanism. In particular, BBHs formed in dense nuclear star clusters or via compact accretion disks around a nuclear supermassive black hole in active galactic nuclei would suffer strong acceleration, and produce large phase drifts measurable by LISA. The host galaxies of the coalescing BBHs in these scenarios can also be uniquely identified in the LISA error volume, without electromagnetic counterparts. A non-detection of phase drifts would rule out or constrain the contribution of the nuclear formation channels to the stellar-mass BBH population. article_number: '063014' article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Kohei full_name: Inayoshi, Kohei last_name: Inayoshi - first_name: Nicola full_name: Tamanini, Nicola last_name: Tamanini - first_name: Chiara full_name: Caprini, Chiara last_name: Caprini - first_name: Zoltán full_name: Haiman, Zoltán id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36 last_name: Haiman citation: ama: Inayoshi K, Tamanini N, Caprini C, Haiman Z. Probing stellar binary black hole formation in galactic nuclei via the imprint of their center of mass acceleration on their gravitational wave signal. Physical Review D. 2017;96(6). doi:10.1103/physrevd.96.063014 apa: Inayoshi, K., Tamanini, N., Caprini, C., & Haiman, Z. (2017). Probing stellar binary black hole formation in galactic nuclei via the imprint of their center of mass acceleration on their gravitational wave signal. Physical Review D. American Physical Society . https://doi.org/10.1103/physrevd.96.063014 chicago: Inayoshi, Kohei, Nicola Tamanini, Chiara Caprini, and Zoltán Haiman. “Probing Stellar Binary Black Hole Formation in Galactic Nuclei via the Imprint of Their Center of Mass Acceleration on Their Gravitational Wave Signal.” Physical Review D. American Physical Society , 2017. https://doi.org/10.1103/physrevd.96.063014. ieee: K. Inayoshi, N. Tamanini, C. Caprini, and Z. Haiman, “Probing stellar binary black hole formation in galactic nuclei via the imprint of their center of mass acceleration on their gravitational wave signal,” Physical Review D, vol. 96, no. 6. American Physical Society , 2017. ista: Inayoshi K, Tamanini N, Caprini C, Haiman Z. 2017. Probing stellar binary black hole formation in galactic nuclei via the imprint of their center of mass acceleration on their gravitational wave signal. Physical Review D. 96(6), 063014. mla: Inayoshi, Kohei, et al. “Probing Stellar Binary Black Hole Formation in Galactic Nuclei via the Imprint of Their Center of Mass Acceleration on Their Gravitational Wave Signal.” Physical Review D, vol. 96, no. 6, 063014, American Physical Society , 2017, doi:10.1103/physrevd.96.063014. short: K. Inayoshi, N. Tamanini, C. Caprini, Z. Haiman, Physical Review D 96 (2017). date_created: 2024-09-06T08:56:32Z date_published: 2017-09-25T00:00:00Z date_updated: 2024-09-25T12:15:34Z day: '25' doi: 10.1103/physrevd.96.063014 extern: '1' external_id: arxiv: - '1702.06529' intvolume: ' 96' issue: '6' language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.48550/arXiv.1702.06529' month: '09' oa: 1 oa_version: Preprint publication: Physical Review D publication_identifier: issn: - 2470-0010 - 2470-0029 publication_status: published publisher: 'American Physical Society ' quality_controlled: '1' scopus_import: '1' status: public title: Probing stellar binary black hole formation in galactic nuclei via the imprint of their center of mass acceleration on their gravitational wave signal type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 96 year: '2017' ... --- OA_type: closed access _id: '17936' abstract: - lang: eng text: We report that the single‐molecule junction conductance of thiol‐terminated silanes with Ag electrodes are higher than the conductance of those formed with Au electrodes. These results are in contrast to the trends in the metal work function Φ(Ag)<Φ(Au). As such, a better alignment of the Au Fermi level to the molecular orbital of silane that mediates charge transport would be expected. This conductance trend is reversed when we replace the thiols with amines, highlighting the impact of metal–S covalent and metal–NH2 dative bonds in controlling the molecular conductance. Density functional theory calculations elucidate the crucial role of the chemical linkers in determining the level alignment when molecules are attached to different metal contacts. We also demonstrate that conductance of thiol‐terminated silanes with Pt electrodes is lower than the ones formed with Au and Ag electrodes, again in contrast to the trends in the metal work‐functions. article_processing_charge: No article_type: letter_note author: - first_name: Haixing full_name: Li, Haixing last_name: Li - first_name: Timothy A. full_name: Su, Timothy A. last_name: Su - 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: Simon E. full_name: Henn, Simon E. last_name: Henn - first_name: Vladislav full_name: Pokorný, Vladislav last_name: Pokorný - first_name: Caravaggio D. full_name: Caniglia, Caravaggio D. last_name: Caniglia - first_name: Michael S. full_name: Inkpen, Michael S. last_name: Inkpen - first_name: Richard full_name: Korytár, Richard last_name: Korytár - first_name: Michael L. full_name: Steigerwald, Michael L. last_name: Steigerwald - first_name: Colin full_name: Nuckolls, Colin last_name: Nuckolls - first_name: Ferdinand full_name: Evers, Ferdinand last_name: Evers - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Li H, Su TA, Camarasa‐Gómez M, et al. Silver makes better eElectrical contacts to thiol‐terminated silanes than Gold. Angewandte Chemie International Edition. 2017;56(45):14145-14148. doi:10.1002/anie.201708524 apa: Li, H., Su, T. A., Camarasa‐Gómez, M., Hernangómez‐Pérez, D., Henn, S. E., Pokorný, V., … Venkataraman, L. (2017). Silver makes better eElectrical contacts to thiol‐terminated silanes than Gold. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.201708524 chicago: Li, Haixing, Timothy A. Su, María Camarasa‐Gómez, Daniel Hernangómez‐Pérez, Simon E. Henn, Vladislav Pokorný, Caravaggio D. Caniglia, et al. “Silver Makes Better EElectrical Contacts to Thiol‐terminated Silanes than Gold.” Angewandte Chemie International Edition. Wiley, 2017. https://doi.org/10.1002/anie.201708524. ieee: H. Li et al., “Silver makes better eElectrical contacts to thiol‐terminated silanes than Gold,” Angewandte Chemie International Edition, vol. 56, no. 45. Wiley, pp. 14145–14148, 2017. ista: Li H, Su TA, Camarasa‐Gómez M, Hernangómez‐Pérez D, Henn SE, Pokorný V, Caniglia CD, Inkpen MS, Korytár R, Steigerwald ML, Nuckolls C, Evers F, Venkataraman L. 2017. Silver makes better eElectrical contacts to thiol‐terminated silanes than Gold. Angewandte Chemie International Edition. 56(45), 14145–14148. mla: Li, Haixing, et al. “Silver Makes Better EElectrical Contacts to Thiol‐terminated Silanes than Gold.” Angewandte Chemie International Edition, vol. 56, no. 45, Wiley, 2017, pp. 14145–48, doi:10.1002/anie.201708524. short: H. Li, T.A. Su, M. Camarasa‐Gómez, D. Hernangómez‐Pérez, S.E. Henn, V. Pokorný, C.D. Caniglia, M.S. Inkpen, R. Korytár, M.L. Steigerwald, C. Nuckolls, F. Evers, L. Venkataraman, Angewandte Chemie International Edition 56 (2017) 14145–14148. date_created: 2024-09-09T08:45:32Z date_published: 2017-11-06T00:00:00Z date_updated: 2024-12-17T10:06:36Z day: '06' doi: 10.1002/anie.201708524 extern: '1' intvolume: ' 56' issue: '45' language: - iso: eng month: '11' oa_version: None page: 14145-14148 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Silver makes better eElectrical contacts to thiol‐terminated silanes than Gold type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 56 year: '2017' ... --- OA_type: closed access _id: '17937' abstract: - lang: eng text: Fabricating nanoscopic devices capable of manipulating and processing single units of charge is an essential step towards creating functional devices where quantum effects dominate transport characteristics. The archetypal single-electron transistor comprises a small conducting or semiconducting island separated from two metallic reservoirs by insulating barriers1,2,3,4,5. By enabling the transfer of a well-defined number of charge carriers between the island and the reservoirs, such a device may enable discrete single-electron operations6,7,8,9. Here, we describe a single-molecule junction comprising a redox-active, atomically precise cobalt chalcogenide cluster wired between two nanoscopic electrodes10,11. We observe current blockade at room temperature in thousands of single-cluster junctions. Below a threshold voltage, charge transfer across the junction is suppressed. The device is turned on when the temporary occupation of the core states by a transiting carrier is energetically enabled, resulting in a sequential tunnelling process and an increase in current by a factor of ∼600. We perform in situ and ex situ cyclic voltammetry as well as density functional theory calculations to unveil a two-step process mediated by an orbital localized on the core of the cluster in which charge carriers reside before tunnelling to the collector reservoir. As the bias window of the junction is opened wide enough to include one of the cluster frontier orbitals, the current blockade is lifted and charge carriers can tunnel sequentially across the junction. article_processing_charge: No article_type: original author: - first_name: Giacomo full_name: Lovat, Giacomo last_name: Lovat - first_name: Bonnie full_name: Choi, Bonnie last_name: Choi - first_name: Daniel W. full_name: Paley, Daniel W. last_name: Paley - 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 - first_name: Xavier full_name: Roy, Xavier last_name: Roy citation: ama: Lovat G, Choi B, Paley DW, Steigerwald ML, Venkataraman L, Roy X. Room-temperature current blockade in atomically defined single-cluster junctions. Nature Nanotechnology. 2017;12:1050-1054. doi:10.1038/nnano.2017.156 apa: Lovat, G., Choi, B., Paley, D. W., Steigerwald, M. L., Venkataraman, L., & Roy, X. (2017). Room-temperature current blockade in atomically defined single-cluster junctions. Nature Nanotechnology. Springer Nature. https://doi.org/10.1038/nnano.2017.156 chicago: Lovat, Giacomo, Bonnie Choi, Daniel W. Paley, Michael L. Steigerwald, Latha Venkataraman, and Xavier Roy. “Room-Temperature Current Blockade in Atomically Defined Single-Cluster Junctions.” Nature Nanotechnology. Springer Nature, 2017. https://doi.org/10.1038/nnano.2017.156. ieee: G. Lovat, B. Choi, D. W. Paley, M. L. Steigerwald, L. Venkataraman, and X. Roy, “Room-temperature current blockade in atomically defined single-cluster junctions,” Nature Nanotechnology, vol. 12. Springer Nature, pp. 1050–1054, 2017. ista: Lovat G, Choi B, Paley DW, Steigerwald ML, Venkataraman L, Roy X. 2017. Room-temperature current blockade in atomically defined single-cluster junctions. Nature Nanotechnology. 12, 1050–1054. mla: Lovat, Giacomo, et al. “Room-Temperature Current Blockade in Atomically Defined Single-Cluster Junctions.” Nature Nanotechnology, vol. 12, Springer Nature, 2017, pp. 1050–54, doi:10.1038/nnano.2017.156. short: G. Lovat, B. Choi, D.W. Paley, M.L. Steigerwald, L. Venkataraman, X. Roy, Nature Nanotechnology 12 (2017) 1050–1054. date_created: 2024-09-09T08:46:15Z date_published: 2017-11-01T00:00:00Z date_updated: 2024-12-17T10:09:35Z day: '01' doi: 10.1038/nnano.2017.156 extern: '1' external_id: pmid: - '28805817' intvolume: ' 12' language: - iso: eng month: '11' oa_version: None page: 1050-1054 pmid: 1 publication: Nature Nanotechnology publication_identifier: eissn: - 1748-3395 issn: - 1748-3387 publication_status: published publisher: Springer Nature quality_controlled: '1' scopus_import: '1' status: public title: Room-temperature current blockade in atomically defined single-cluster junctions type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 12 year: '2017' ... --- OA_type: closed access _id: '17939' abstract: - lang: eng text: We report a series of single-molecule transport measurements carried out in an ionic environment with oligophenylenediamine wires. These molecules exhibit three discrete conducting states accessed by electrochemically modifying the contacts. Transport in these junctions is defined by the oligophenylene backbone, but the conductance is increased by factors of ∼20 and ∼400 when compared to traditional dative junctions. We propose that the higher-conducting states arise from in situ electrochemical conversion of the dative Au←N bond into a new type of Au–N contact. Density functional theory-based transport calculations establish that the new contacts dramatically increase the electronic coupling of the oligophenylene backbone to the Au electrodes, consistent with experimental transport data. The resulting contact resistance is the lowest reported to date; more generally, our work demonstrates a facile method for creating electronically transparent metal–organic interfaces. article_processing_charge: No article_type: letter_note author: - first_name: Yaping full_name: Zang, Yaping last_name: Zang - first_name: Andrew full_name: Pinkard, Andrew last_name: Pinkard - first_name: Zhen-Fei full_name: Liu, Zhen-Fei last_name: Liu - first_name: Jeffrey B. full_name: Neaton, Jeffrey B. last_name: Neaton - first_name: Michael L. full_name: Steigerwald, Michael L. last_name: Steigerwald - 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: Zang Y, Pinkard A, Liu Z-F, et al. Electronically transparent Au–N bonds for molecular junctions. Journal of the American Chemical Society. 2017;139(42):14845-14848. doi:10.1021/jacs.7b08370 apa: Zang, Y., Pinkard, A., Liu, Z.-F., Neaton, J. B., Steigerwald, M. L., Roy, X., & Venkataraman, L. (2017). Electronically transparent Au–N bonds for molecular junctions. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.7b08370 chicago: Zang, Yaping, Andrew Pinkard, Zhen-Fei Liu, Jeffrey B. Neaton, Michael L. Steigerwald, Xavier Roy, and Latha Venkataraman. “Electronically Transparent Au–N Bonds for Molecular Junctions.” Journal of the American Chemical Society. American Chemical Society, 2017. https://doi.org/10.1021/jacs.7b08370. ieee: Y. Zang et al., “Electronically transparent Au–N bonds for molecular junctions,” Journal of the American Chemical Society, vol. 139, no. 42. American Chemical Society, pp. 14845–14848, 2017. ista: Zang Y, Pinkard A, Liu Z-F, Neaton JB, Steigerwald ML, Roy X, Venkataraman L. 2017. Electronically transparent Au–N bonds for molecular junctions. Journal of the American Chemical Society. 139(42), 14845–14848. mla: Zang, Yaping, et al. “Electronically Transparent Au–N Bonds for Molecular Junctions.” Journal of the American Chemical Society, vol. 139, no. 42, American Chemical Society, 2017, pp. 14845–48, doi:10.1021/jacs.7b08370. short: Y. Zang, A. Pinkard, Z.-F. Liu, J.B. Neaton, M.L. Steigerwald, X. Roy, L. Venkataraman, Journal of the American Chemical Society 139 (2017) 14845–14848. date_created: 2024-09-09T08:47:04Z date_published: 2017-10-05T00:00:00Z date_updated: 2024-12-17T10:13:56Z day: '05' doi: 10.1021/jacs.7b08370 extern: '1' external_id: pmid: - '28981277' intvolume: ' 139' issue: '42' language: - iso: eng month: '10' oa_version: None page: 14845-14848 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Electronically transparent Au–N bonds for molecular junctions type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 139 year: '2017' ... --- OA_type: closed access _id: '17940' abstract: - lang: eng text: Single-molecule conductance studies have traditionally focused on creating highly conducting molecular wires. However, progress in nanoscale electronics demands insulators just as it needs conductors. Here we describe the single-molecule length-dependent conductance properties of the classic silicon dioxide insulator. We synthesize molecular wires consisting of Si–O repeat units and measure their conductance through the scanning tunneling microscope-based break-junction method. These molecules yield conductance lower than alkanes of the same length and the largest length-dependent conductance decay of any molecular systems measured to date. We calculate single-molecule junction transmission and the complex band structure of the infinite 1D material for siloxane, in comparison with silane and alkane, and show that the large conductance decay is intrinsic to the nature of the Si–O bond. This work highlights the potential for siloxanes to function as molecular insulators in electronics. article_processing_charge: No article_type: original author: - first_name: Haixing full_name: Li, Haixing last_name: Li - first_name: Marc H. full_name: Garner, Marc H. last_name: Garner - first_name: Timothy A. full_name: Su, Timothy A. last_name: Su - first_name: Anders full_name: Jensen, Anders last_name: Jensen - first_name: Michael S. full_name: Inkpen, Michael S. last_name: Inkpen - 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 - first_name: Gemma C. full_name: Solomon, Gemma C. last_name: Solomon - first_name: Colin full_name: Nuckolls, Colin last_name: Nuckolls citation: ama: Li H, Garner MH, Su TA, et al. Extreme conductance suppression in molecular siloxanes. Journal of the American Chemical Society. 2017;139(30):10212-10215. doi:10.1021/jacs.7b05599 apa: Li, H., Garner, M. H., Su, T. A., Jensen, A., Inkpen, M. S., Steigerwald, M. L., … Nuckolls, C. (2017). Extreme conductance suppression in molecular siloxanes. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.7b05599 chicago: Li, Haixing, Marc H. Garner, Timothy A. Su, Anders Jensen, Michael S. Inkpen, Michael L. Steigerwald, Latha Venkataraman, Gemma C. Solomon, and Colin Nuckolls. “Extreme Conductance Suppression in Molecular Siloxanes.” Journal of the American Chemical Society. American Chemical Society, 2017. https://doi.org/10.1021/jacs.7b05599. ieee: H. Li et al., “Extreme conductance suppression in molecular siloxanes,” Journal of the American Chemical Society, vol. 139, no. 30. American Chemical Society, pp. 10212–10215, 2017. ista: Li H, Garner MH, Su TA, Jensen A, Inkpen MS, Steigerwald ML, Venkataraman L, Solomon GC, Nuckolls C. 2017. Extreme conductance suppression in molecular siloxanes. Journal of the American Chemical Society. 139(30), 10212–10215. mla: Li, Haixing, et al. “Extreme Conductance Suppression in Molecular Siloxanes.” Journal of the American Chemical Society, vol. 139, no. 30, American Chemical Society, 2017, pp. 10212–15, doi:10.1021/jacs.7b05599. short: H. Li, M.H. Garner, T.A. Su, A. Jensen, M.S. Inkpen, M.L. Steigerwald, L. Venkataraman, G.C. Solomon, C. Nuckolls, Journal of the American Chemical Society 139 (2017) 10212–10215. date_created: 2024-09-09T08:48:28Z date_published: 2017-07-13T00:00:00Z date_updated: 2024-12-18T07:27:18Z day: '13' doi: 10.1021/jacs.7b05599 extern: '1' external_id: pmid: - '28702995' intvolume: ' 139' issue: '30' language: - iso: eng month: '07' oa_version: None page: 10212-10215 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Extreme conductance suppression in molecular siloxanes type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 139 year: '2017' ... --- OA_type: closed access _id: '17941' abstract: - lang: eng text: How heteroatomic substitutions affect electron transport through π-conjugated hydrocarbons has been the subject of some debate. In this paper we investigate the effect of heteroatomic linkers in a molecular junction on the electron-transmission spectrum, focusing on the occurrence of quantum interference (QI) close to the Fermi level, where conductivity can be significantly suppressed. We find that the substitution or addition of heteroatoms to a carbon skeleton at the contact positions does not change the main feature of QI due to the underlying carbon skeleton. QI in the overall system thus remains a robust feature. This empirical observation leads us to derive, in two mathematical ways, that these findings can be generalized. We note that addition or substitution of a carbon atom by a heteroatom at the contact positions will increase or decrease the number of electrons in the π-system, which will lead to a change in the alignment of the molecular orbitals of the isolated system relative to the electrode Fermi level. Both Hückel and density functional theory calculations on model systems probe the effect of this Fermi level change and confirm qualitatively the implications of the underlying mathematical proofs. article_processing_charge: No article_type: original author: - first_name: Yuta full_name: Tsuji, Yuta last_name: Tsuji - first_name: Thijs full_name: Stuyver, Thijs last_name: Stuyver - first_name: Suman full_name: Gunasekaran, Suman last_name: Gunasekaran - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: 'Tsuji Y, Stuyver T, Gunasekaran S, Venkataraman L. The influence of linkers on quantum interference: A linker theorem. The Journal of Physical Chemistry C. 2017;121(27):14451-14462. doi:10.1021/acs.jpcc.7b03493' apa: 'Tsuji, Y., Stuyver, T., Gunasekaran, S., & Venkataraman, L. (2017). The influence of linkers on quantum interference: A linker theorem. The Journal of Physical Chemistry C. American Chemical Society. https://doi.org/10.1021/acs.jpcc.7b03493' chicago: 'Tsuji, Yuta, Thijs Stuyver, Suman Gunasekaran, and Latha Venkataraman. “The Influence of Linkers on Quantum Interference: A Linker Theorem.” The Journal of Physical Chemistry C. American Chemical Society, 2017. https://doi.org/10.1021/acs.jpcc.7b03493.' ieee: 'Y. Tsuji, T. Stuyver, S. Gunasekaran, and L. Venkataraman, “The influence of linkers on quantum interference: A linker theorem,” The Journal of Physical Chemistry C, vol. 121, no. 27. American Chemical Society, pp. 14451–14462, 2017.' ista: 'Tsuji Y, Stuyver T, Gunasekaran S, Venkataraman L. 2017. The influence of linkers on quantum interference: A linker theorem. The Journal of Physical Chemistry C. 121(27), 14451–14462.' mla: 'Tsuji, Yuta, et al. “The Influence of Linkers on Quantum Interference: A Linker Theorem.” The Journal of Physical Chemistry C, vol. 121, no. 27, American Chemical Society, 2017, pp. 14451–62, doi:10.1021/acs.jpcc.7b03493.' short: Y. Tsuji, T. Stuyver, S. Gunasekaran, L. Venkataraman, The Journal of Physical Chemistry C 121 (2017) 14451–14462. date_created: 2024-09-09T08:49:27Z date_published: 2017-06-09T00:00:00Z date_updated: 2024-12-18T07:29:42Z day: '09' doi: 10.1021/acs.jpcc.7b03493 extern: '1' intvolume: ' 121' issue: '27' language: - iso: eng month: '06' oa_version: None page: 14451-14462 publication: The Journal of Physical Chemistry C publication_identifier: eissn: - 1932-7455 issn: - 1932-7447 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'The influence of linkers on quantum interference: A linker theorem' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 121 year: '2017' ... --- OA_type: closed access _id: '17942' abstract: - lang: eng text: Quantum interference effects, whether constructive or destructive, are key to predicting and understanding the electrical conductance of single molecules. Here, through theory and experiment, we investigate a family of benzene-like molecules that exhibit both constructive and destructive interference effects arising due to more than one contact between the molecule and each electrode. In particular, we demonstrate that the π-system of meta-coupled benzene can exhibit constructive interference and its para-coupled analog can exhibit destructive interference, and vice versa, depending on the specific through-space interactions. As a peculiarity, this allows a meta-coupled benzene molecule to exhibit higher conductance than a para-coupled benzene. Our results provide design principles for molecular electronic components with high sensitivity to through-space interactions and demonstrate that increasing the number of contacts between the molecule and electrodes can both increase and decrease the conductance. article_processing_charge: No article_type: letter_note author: - first_name: Anders full_name: Borges, Anders last_name: Borges - first_name: Jianlong full_name: Xia, Jianlong last_name: Xia - first_name: Sheng Hua full_name: Liu, Sheng Hua last_name: Liu - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: Gemma C. full_name: Solomon, Gemma C. last_name: Solomon citation: ama: Borges A, Xia J, Liu SH, Venkataraman L, Solomon GC. The role of through-space interactions in modulating constructive and destructive interference effects in benzene. Nano Letters. 2017;17(7):4436-4442. doi:10.1021/acs.nanolett.7b01592 apa: Borges, A., Xia, J., Liu, S. H., Venkataraman, L., & Solomon, G. C. (2017). The role of through-space interactions in modulating constructive and destructive interference effects in benzene. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.7b01592 chicago: Borges, Anders, Jianlong Xia, Sheng Hua Liu, Latha Venkataraman, and Gemma C. Solomon. “The Role of Through-Space Interactions in Modulating Constructive and Destructive Interference Effects in Benzene.” Nano Letters. American Chemical Society, 2017. https://doi.org/10.1021/acs.nanolett.7b01592. ieee: A. Borges, J. Xia, S. H. Liu, L. Venkataraman, and G. C. Solomon, “The role of through-space interactions in modulating constructive and destructive interference effects in benzene,” Nano Letters, vol. 17, no. 7. American Chemical Society, pp. 4436–4442, 2017. ista: Borges A, Xia J, Liu SH, Venkataraman L, Solomon GC. 2017. The role of through-space interactions in modulating constructive and destructive interference effects in benzene. Nano Letters. 17(7), 4436–4442. mla: Borges, Anders, et al. “The Role of Through-Space Interactions in Modulating Constructive and Destructive Interference Effects in Benzene.” Nano Letters, vol. 17, no. 7, American Chemical Society, 2017, pp. 4436–42, doi:10.1021/acs.nanolett.7b01592. short: A. Borges, J. Xia, S.H. Liu, L. Venkataraman, G.C. Solomon, Nano Letters 17 (2017) 4436–4442. date_created: 2024-09-09T08:50:14Z date_published: 2017-06-26T00:00:00Z date_updated: 2024-12-18T07:32:14Z day: '26' doi: 10.1021/acs.nanolett.7b01592 extern: '1' external_id: pmid: - '28650176' intvolume: ' 17' issue: '7' language: - iso: eng month: '06' oa_version: None page: 4436-4442 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: The role of through-space interactions in modulating constructive and destructive interference effects in benzene type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 17 year: '2017' ... --- OA_type: closed access _id: '17943' abstract: - lang: eng text: "This Account provides an overview of our recent efforts to uncover the fundamental charge transport properties of Si–Si and Ge–Ge single bonds and introduce useful functions into group 14 molecular wires. We utilize the tools of chemical synthesis and a scanning tunneling microscopy-based break-junction technique to study the mechanism of charge transport in these molecular systems. We evaluated the fundamental ability of silicon, germanium, and carbon molecular wires to transport charge by comparing conductances within families of well-defined structures, the members of which differ only in the number of Si (or Ge or C) atoms in the wire. For each family, this procedure yielded a length-dependent conductance decay parameter, β. Comparison of the different β values demonstrates that Si–Si and Ge–Ge σ bonds are more conductive than the analogous C–C σ bonds. These molecular trends mirror what is seen in the bulk.\r\n\r\nThe conductance decay of Si and Ge-based wires is similar in magnitude to those from π-based molecular wires such as paraphenylenes However, the chemistry of the linkers that attach the molecular wires to the electrodes has a large influence on the resulting β value. For example, Si- and Ge-based wires of many different lengths connected with a methyl–thiomethyl linker give β values of 0.36–0.39 Å–1, whereas Si- and Ge-based wires connected with aryl–thiomethyl groups give drastically different β values for short and long wires. This observation inspired us to study molecular wires that are composed of both π- and σ-orbitals. The sequence and composition of group 14 atoms in the σ chain modulates the electronic coupling between the π end-groups and dictates the molecular conductance. The conductance behavior originates from the coupling between the subunits, which can be understood by considering periodic trends such as bond length, polarizability, and bond polarity.\r\n\r\nWe found that the same periodic trends determine the electric field-induced breakdown properties of individual Si–Si, Ge–Ge, Si–O, Si–C, and C–C bonds. Building from these studies, we have prepared a system that has two different, alternative conductance pathways. In this wire, we can intentionally break a labile, strained silicon–silicon bond and thereby shunt the current through the secondary conduction pathway. This type of in situ bond-rupture provides a new tool to study single molecule reactions that are induced by electric fields. Moreover, these studies provide guidance for designing dielectric materials as well as molecular devices that require stability under high voltage bias.\r\n\r\nThe fundamental studies on the structure/function relationships of the molecular wires have guided the design of new functional systems based on the Si- and Ge-based wires. For example, we exploited the principle of strain-induced Lewis acidity from reaction chemistry to design a single molecule switch that can be controllably switched between two conductive states by varying the distance between the tip and substrate electrodes. We found that the strain intrinsic to the disilaacenaphthene scaffold also creates two state conductance switching. Finally, we demonstrate the first example of a stereoelectronic conductance switch, and we demonstrate that the switching relies crucially on the electronic delocalization in Si–Si and Ge–Ge wire backbones. These studies illustrate the untapped potential in using Si- and Ge-based wires to design and control charge transport at the nanoscale and to allow quantum mechanics to be used as a tool to design ultraminiaturized switches." article_processing_charge: No article_type: original author: - first_name: Timothy A. full_name: Su, Timothy A. last_name: Su - first_name: Haixing full_name: Li, Haixing last_name: Li - first_name: Rebekka S. full_name: Klausen, Rebekka S. last_name: Klausen - first_name: Nathaniel T. full_name: Kim, Nathaniel T. last_name: Kim - first_name: Madhav full_name: Neupane, Madhav last_name: Neupane - first_name: James L. full_name: Leighton, James L. last_name: Leighton - 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 - first_name: Colin full_name: Nuckolls, Colin last_name: Nuckolls citation: ama: Su TA, Li H, Klausen RS, et al. Silane and Germane molecular electronics. Accounts of Chemical Research. 2017;50(4):1088-1095. doi:10.1021/acs.accounts.7b00059 apa: Su, T. A., Li, H., Klausen, R. S., Kim, N. T., Neupane, M., Leighton, J. L., … Nuckolls, C. (2017). Silane and Germane molecular electronics. Accounts of Chemical Research. American Chemical Society. https://doi.org/10.1021/acs.accounts.7b00059 chicago: Su, Timothy A., Haixing Li, Rebekka S. Klausen, Nathaniel T. Kim, Madhav Neupane, James L. Leighton, Michael L. Steigerwald, Latha Venkataraman, and Colin Nuckolls. “Silane and Germane Molecular Electronics.” Accounts of Chemical Research. American Chemical Society, 2017. https://doi.org/10.1021/acs.accounts.7b00059. ieee: T. A. Su et al., “Silane and Germane molecular electronics,” Accounts of Chemical Research, vol. 50, no. 4. American Chemical Society, pp. 1088–1095, 2017. ista: Su TA, Li H, Klausen RS, Kim NT, Neupane M, Leighton JL, Steigerwald ML, Venkataraman L, Nuckolls C. 2017. Silane and Germane molecular electronics. Accounts of Chemical Research. 50(4), 1088–1095. mla: Su, Timothy A., et al. “Silane and Germane Molecular Electronics.” Accounts of Chemical Research, vol. 50, no. 4, American Chemical Society, 2017, pp. 1088–95, doi:10.1021/acs.accounts.7b00059. short: T.A. Su, H. Li, R.S. Klausen, N.T. Kim, M. Neupane, J.L. Leighton, M.L. Steigerwald, L. Venkataraman, C. Nuckolls, Accounts of Chemical Research 50 (2017) 1088–1095. date_created: 2024-09-09T08:51:18Z date_published: 2017-03-27T00:00:00Z date_updated: 2024-12-18T07:41:16Z day: '27' doi: 10.1021/acs.accounts.7b00059 extern: '1' external_id: pmid: - '28345881' intvolume: ' 50' issue: '4' language: - iso: eng month: '03' oa_version: None page: 1088-1095 pmid: 1 publication: Accounts of Chemical Research publication_identifier: eissn: - 1520-4898 issn: - 0001-4842 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Silane and Germane molecular electronics type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 50 year: '2017' ... --- OA_type: closed access _id: '17944' abstract: - lang: eng text: The electronic, mechanical, and thermoelectric properties of molecular scale devices have fascinated scientists across several disciplines in natural sciences and engineering. The interest is partially technological, driven by the fast miniaturization of integrated circuits that now have reached characteristic features at the nanometer scale. Equally important, a very strong incentive also exists to elucidate the fundamental aspects of structure-function relations for nanoscale devices, which utilize molecular building blocks as functional units. Thus motivated, a rich research field has established itself, broadly termed “Molecular Electronics,” that hosts a plethora of activities devoted to this goal in chemistry, physics, and electrical engineering. This Special Topic on Frontiers of Molecular Scale Electronics captures recent theoretical and experimental advances in the field. article_number: '092101' article_processing_charge: No article_type: letter_note author: - first_name: Ferdinand full_name: Evers, Ferdinand last_name: Evers - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: 'Evers F, Venkataraman L. Preface: Special topic on Frontiers in Molecular Scale Electronics. The Journal of Chemical Physics. 2017;146(9). doi:10.1063/1.4977469' apa: 'Evers, F., & Venkataraman, L. (2017). Preface: Special topic on Frontiers in Molecular Scale Electronics. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/1.4977469' chicago: 'Evers, Ferdinand, and Latha Venkataraman. “Preface: Special Topic on Frontiers in Molecular Scale Electronics.” The Journal of Chemical Physics. AIP Publishing, 2017. https://doi.org/10.1063/1.4977469.' ieee: 'F. Evers and L. Venkataraman, “Preface: Special topic on Frontiers in Molecular Scale Electronics,” The Journal of Chemical Physics, vol. 146, no. 9. AIP Publishing, 2017.' ista: 'Evers F, Venkataraman L. 2017. Preface: Special topic on Frontiers in Molecular Scale Electronics. The Journal of Chemical Physics. 146(9), 092101.' mla: 'Evers, Ferdinand, and Latha Venkataraman. “Preface: Special Topic on Frontiers in Molecular Scale Electronics.” The Journal of Chemical Physics, vol. 146, no. 9, 092101, AIP Publishing, 2017, doi:10.1063/1.4977469.' short: F. Evers, L. Venkataraman, The Journal of Chemical Physics 146 (2017). date_created: 2024-09-09T08:52:10Z date_published: 2017-03-07T00:00:00Z date_updated: 2024-12-18T07:44:28Z day: '07' doi: 10.1063/1.4977469 extern: '1' intvolume: ' 146' issue: '9' language: - iso: eng month: '03' oa_version: None publication: The Journal of Chemical Physics publication_identifier: eissn: - 1089-7690 issn: - 0021-9606 publication_status: published publisher: AIP Publishing quality_controlled: '1' scopus_import: '1' status: public title: 'Preface: Special topic on Frontiers in Molecular Scale Electronics' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 146 year: '2017' ... --- OA_type: closed access _id: '17945' abstract: - lang: eng text: We perform temperature dependent conductance measurements on sub-nanometer sized single molecules bound to gold electrodes using a scanning tunneling microscope-based break junction technique in Ultra-High Vacuum (UHV). We find a threefold increase in the conductance of amine-terminated conjugated molecules when the temperature increases from 4 K to 300 K in UHV. Furthermore, the conductance measured at 300 K in UHV is consistent with solution-based measurements under ambient conditions where the transport mechanism corresponds to off-resonant electron tunneling across the molecule. Our measurements indicate that at 300 K, conductance is largely independent of pressure or solvent around the junction. In addition, our data unambiguously show that temperature can affect the tunneling conductance of single molecule-metal junctions. We show that the structure of the metal electrodes that form in these junctions varies systematically with temperature, and hypothesize that this changing structure of the interface alters electron tunneling probability and propose a mechanism to explain our findings. article_number: '092311' article_processing_charge: No article_type: original author: - first_name: M. full_name: Kamenetska, M. last_name: Kamenetska - first_name: J. R. full_name: Widawsky, J. R. last_name: Widawsky - first_name: M. full_name: Dell’Angela, M. last_name: Dell’Angela - first_name: M. full_name: Frei, M. last_name: Frei - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Kamenetska M, Widawsky JR, Dell’Angela M, Frei M, Venkataraman L. Temperature dependent tunneling conductance of single molecule junctions. The Journal of Chemical Physics. 2017;146(9). doi:10.1063/1.4973318 apa: Kamenetska, M., Widawsky, J. R., Dell’Angela, M., Frei, M., & Venkataraman, L. (2017). Temperature dependent tunneling conductance of single molecule junctions. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/1.4973318 chicago: Kamenetska, M., J. R. Widawsky, M. Dell’Angela, M. Frei, and Latha Venkataraman. “Temperature Dependent Tunneling Conductance of Single Molecule Junctions.” The Journal of Chemical Physics. AIP Publishing, 2017. https://doi.org/10.1063/1.4973318. ieee: M. Kamenetska, J. R. Widawsky, M. Dell’Angela, M. Frei, and L. Venkataraman, “Temperature dependent tunneling conductance of single molecule junctions,” The Journal of Chemical Physics, vol. 146, no. 9. AIP Publishing, 2017. ista: Kamenetska M, Widawsky JR, Dell’Angela M, Frei M, Venkataraman L. 2017. Temperature dependent tunneling conductance of single molecule junctions. The Journal of Chemical Physics. 146(9), 092311. mla: Kamenetska, M., et al. “Temperature Dependent Tunneling Conductance of Single Molecule Junctions.” The Journal of Chemical Physics, vol. 146, no. 9, 092311, AIP Publishing, 2017, doi:10.1063/1.4973318. short: M. Kamenetska, J.R. Widawsky, M. Dell’Angela, M. Frei, L. Venkataraman, The Journal of Chemical Physics 146 (2017). date_created: 2024-09-09T08:53:22Z date_published: 2017-03-07T00:00:00Z date_updated: 2024-12-18T07:46:46Z day: '07' doi: 10.1063/1.4973318 extern: '1' intvolume: ' 146' issue: '9' language: - iso: eng month: '03' oa_version: None publication: The Journal of Chemical Physics publication_identifier: eissn: - 1089-7690 issn: - 0021-9606 publication_status: published publisher: AIP Publishing quality_controlled: '1' scopus_import: '1' status: public title: Temperature dependent tunneling conductance of single molecule junctions type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 146 year: '2017' ... --- _id: '17947' abstract: - lang: eng text: We investigate light-induced conductance enhancement in single-molecule junctions via photon-assisted transport and hot-electron transport. Using 4,4′-bipyridine bound to Au electrodes as a prototypical single-molecule junction, we report a 20–40% enhancement in conductance under illumination with 980 nm wavelength radiation. We probe the effects of subtle changes in the transmission function on light-enhanced current and show that discrete variations in the binding geometry result in a 10% change in enhancement. Importantly, we prove theoretically that the steady-state behavior of photon-assisted transport and hot-electron transport is identical but that hot-electron transport is the dominant mechanism for optically induced conductance enhancement in single-molecule junctions when the wavelength used is absorbed by the electrodes and the hot-electron relaxation time is long. We confirm this experimentally by performing polarization-dependent conductance measurements of illuminated 4,4′-bipyridine junctions. Finally, we perform lock-in type measurements of optical current and conclude that currents due to laser-induced thermal expansion mask optical currents. This work provides a robust experimental framework for studying mechanisms of light-enhanced transport in single-molecule junctions and offers tools for tuning the performance of organic optoelectronic devices by analyzing detailed transport properties of the molecules involved. article_processing_charge: No article_type: letter_note author: - first_name: E-Dean full_name: Fung, E-Dean last_name: Fung - first_name: Olgun full_name: Adak, Olgun last_name: Adak - first_name: Giacomo full_name: Lovat, Giacomo last_name: Lovat - first_name: Diego full_name: Scarabelli, Diego last_name: Scarabelli - 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, Adak O, Lovat G, Scarabelli D, Venkataraman L. Too hot for photon-assisted transport: Hot-electrons dominate conductance enhancement in illuminated single-molecule junctions. Nano Letters. 2017;17(2):1255-1261. doi:10.1021/acs.nanolett.6b05091' apa: 'Fung, E.-D., Adak, O., Lovat, G., Scarabelli, D., & Venkataraman, L. (2017). Too hot for photon-assisted transport: Hot-electrons dominate conductance enhancement in illuminated single-molecule junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.6b05091' chicago: 'Fung, E-Dean, Olgun Adak, Giacomo Lovat, Diego Scarabelli, and Latha Venkataraman. “Too Hot for Photon-Assisted Transport: Hot-Electrons Dominate Conductance Enhancement in Illuminated Single-Molecule Junctions.” Nano Letters. American Chemical Society, 2017. https://doi.org/10.1021/acs.nanolett.6b05091.' ieee: 'E.-D. Fung, O. Adak, G. Lovat, D. Scarabelli, and L. Venkataraman, “Too hot for photon-assisted transport: Hot-electrons dominate conductance enhancement in illuminated single-molecule junctions,” Nano Letters, vol. 17, no. 2. American Chemical Society, pp. 1255–1261, 2017.' ista: 'Fung E-D, Adak O, Lovat G, Scarabelli D, Venkataraman L. 2017. Too hot for photon-assisted transport: Hot-electrons dominate conductance enhancement in illuminated single-molecule junctions. Nano Letters. 17(2), 1255–1261.' mla: 'Fung, E. Dean, et al. “Too Hot for Photon-Assisted Transport: Hot-Electrons Dominate Conductance Enhancement in Illuminated Single-Molecule Junctions.” Nano Letters, vol. 17, no. 2, American Chemical Society, 2017, pp. 1255–61, doi:10.1021/acs.nanolett.6b05091.' short: E.-D. Fung, O. Adak, G. Lovat, D. Scarabelli, L. Venkataraman, Nano Letters 17 (2017) 1255–1261. date_created: 2024-09-09T09:01:35Z date_published: 2017-01-23T00:00:00Z date_updated: 2024-12-18T07:49:53Z day: '23' doi: 10.1021/acs.nanolett.6b05091 extern: '1' external_id: pmid: - '28112947' intvolume: ' 17' issue: '2' language: - iso: eng month: '01' oa_version: None page: 1255-1261 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 hot for photon-assisted transport: Hot-electrons dominate conductance enhancement in illuminated single-molecule junctions' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 17 year: '2017' ... --- DOAJ_listed: '1' OA_place: publisher OA_type: gold _id: '17949' abstract: - lang: eng text: Single-molecule electronic devices provide researchers with an unprecedented ability to relate novel physical phenomena to molecular chemical structures. Typically, conjugated aromatic molecular backbones are relied upon to create electronic devices, where the aromaticity of the building blocks is used to enhance conductivity. We capitalize on the classical physical organic chemistry concept of Hückel antiaromaticity by demonstrating a single-molecule switch that exhibits low conductance in the neutral state and, upon electrochemical oxidation, reversibly switches to an antiaromatic high-conducting structure. We form single-molecule devices using the scanning tunneling microscope–based break-junction technique and observe an on/off ratio of ~70 for a thiophenylidene derivative that switches to an antiaromatic state with 6-4-6-π electrons. Through supporting nuclear magnetic resonance measurements, we show that the doubly oxidized core has antiaromatic character and we use density functional theory calculations to rationalize the origin of the high-conductance state for the oxidized single-molecule junction. Together, our work demonstrates how the concept of antiaromaticity can be exploited to create single-molecule devices that are highly conducting. article_number: aao2615 article_processing_charge: Yes article_type: original author: - first_name: Xiaodong full_name: Yin, Xiaodong last_name: Yin - first_name: Yaping full_name: Zang, Yaping last_name: Zang - first_name: Liangliang full_name: Zhu, Liangliang last_name: Zhu - first_name: Jonathan Z. full_name: Low, Jonathan Z. last_name: Low - first_name: Zhen-Fei full_name: Liu, Zhen-Fei last_name: Liu - first_name: Jing full_name: Cui, Jing last_name: Cui - first_name: Jeffrey B. full_name: Neaton, Jeffrey B. last_name: Neaton - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: Luis M. full_name: Campos, Luis M. last_name: Campos citation: ama: Yin X, Zang Y, Zhu L, et al. A reversible single-molecule switch based on activated antiaromaticity. Science Advances. 2017;3(10). doi:10.1126/sciadv.aao2615 apa: Yin, X., Zang, Y., Zhu, L., Low, J. Z., Liu, Z.-F., Cui, J., … Campos, L. M. (2017). A reversible single-molecule switch based on activated antiaromaticity. Science Advances. American Association for the Advancement of Science. https://doi.org/10.1126/sciadv.aao2615 chicago: Yin, Xiaodong, Yaping Zang, Liangliang Zhu, Jonathan Z. Low, Zhen-Fei Liu, Jing Cui, Jeffrey B. Neaton, Latha Venkataraman, and Luis M. Campos. “A Reversible Single-Molecule Switch Based on Activated Antiaromaticity.” Science Advances. American Association for the Advancement of Science, 2017. https://doi.org/10.1126/sciadv.aao2615. ieee: X. Yin et al., “A reversible single-molecule switch based on activated antiaromaticity,” Science Advances, vol. 3, no. 10. American Association for the Advancement of Science, 2017. ista: Yin X, Zang Y, Zhu L, Low JZ, Liu Z-F, Cui J, Neaton JB, Venkataraman L, Campos LM. 2017. A reversible single-molecule switch based on activated antiaromaticity. Science Advances. 3(10), aao2615. mla: Yin, Xiaodong, et al. “A Reversible Single-Molecule Switch Based on Activated Antiaromaticity.” Science Advances, vol. 3, no. 10, aao2615, American Association for the Advancement of Science, 2017, doi:10.1126/sciadv.aao2615. short: X. Yin, Y. Zang, L. Zhu, J.Z. Low, Z.-F. Liu, J. Cui, J.B. Neaton, L. Venkataraman, L.M. Campos, Science Advances 3 (2017). date_created: 2024-09-09T09:12:08Z date_published: 2017-10-01T00:00:00Z date_updated: 2024-12-18T07:54:32Z day: '01' doi: 10.1126/sciadv.aao2615 extern: '1' intvolume: ' 3' issue: '10' language: - iso: eng license: https://creativecommons.org/licenses/by-nc/4.0/ main_file_link: - open_access: '1' url: https://doi.org/10.1126/sciadv.aao2615 month: '10' oa: 1 oa_version: Published Version publication: Science Advances publication_identifier: eissn: - 2375-2548 publication_status: published publisher: American Association for the Advancement of Science quality_controlled: '1' related_material: link: - relation: erratum url: https://doi.org/10.1126/sciadv.abq0115 scopus_import: '1' status: public title: A reversible single-molecule switch based on activated antiaromaticity tmp: image: /images/cc_by_nc.png legal_code_url: https://creativecommons.org/licenses/by-nc/4.0/legalcode name: Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) short: CC BY-NC (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 3 year: '2017' ... --- DOAJ_listed: '1' OA_place: publisher OA_type: gold _id: '17950' abstract: - lang: eng text: Whilst most studies in single-molecule electronics involve components first synthesized ex situ, there is also great potential in exploiting chemical transformations to prepare devices in situ. Here, as a first step towards this goal, we conduct reversible reactions on monolayers to make and break covalent bonds between alkanes of different lengths, then measure the conductance of these molecules connected between electrodes using the scanning tunneling microscopy-based break junction (STM-BJ) method. In doing so, we develop the critical methodology required for assembling and disassembling surface-bound single-molecule circuits. We identify effective reaction conditions for surface-bound reagents, and importantly demonstrate that the electronic characteristics of wires created in situ agree with those created ex situ. Finally, we show that the STM-BJ technique is unique in its ability to definitively probe surface reaction yields both on a local (∼50 nm2) and pseudo-global (≥10 mm2) level. This investigation thus highlights a route to the construction and integration of more complex, and ultimately functional, surface-based single-molecule circuitry, as well as advancing a methodology that facilitates studies beyond the reach of traditional ex situ synthetic approaches. article_processing_charge: Yes article_type: original author: - first_name: Michael S. full_name: Inkpen, Michael S. last_name: Inkpen - first_name: Yann R. full_name: Leroux, Yann R. last_name: Leroux - first_name: Philippe full_name: Hapiot, Philippe last_name: Hapiot - first_name: Luis M. full_name: Campos, Luis M. last_name: Campos - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Inkpen MS, Leroux YR, Hapiot P, Campos LM, Venkataraman L. Reversible on-surface wiring of resistive circuits. Chemical Science. 2017;8(6):4340-4346. doi:10.1039/c7sc00599g apa: Inkpen, M. S., Leroux, Y. R., Hapiot, P., Campos, L. M., & Venkataraman, L. (2017). Reversible on-surface wiring of resistive circuits. Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/c7sc00599g chicago: Inkpen, Michael S., Yann R. Leroux, Philippe Hapiot, Luis M. Campos, and Latha Venkataraman. “Reversible On-Surface Wiring of Resistive Circuits.” Chemical Science. Royal Society of Chemistry, 2017. https://doi.org/10.1039/c7sc00599g. ieee: M. S. Inkpen, Y. R. Leroux, P. Hapiot, L. M. Campos, and L. Venkataraman, “Reversible on-surface wiring of resistive circuits,” Chemical Science, vol. 8, no. 6. Royal Society of Chemistry, pp. 4340–4346, 2017. ista: Inkpen MS, Leroux YR, Hapiot P, Campos LM, Venkataraman L. 2017. Reversible on-surface wiring of resistive circuits. Chemical Science. 8(6), 4340–4346. mla: Inkpen, Michael S., et al. “Reversible On-Surface Wiring of Resistive Circuits.” Chemical Science, vol. 8, no. 6, Royal Society of Chemistry, 2017, pp. 4340–46, doi:10.1039/c7sc00599g. short: M.S. Inkpen, Y.R. Leroux, P. Hapiot, L.M. Campos, L. Venkataraman, Chemical Science 8 (2017) 4340–4346. date_created: 2024-09-09T09:17:08Z date_published: 2017-04-07T00:00:00Z date_updated: 2024-12-18T07:59:46Z day: '07' doi: 10.1039/c7sc00599g extern: '1' external_id: pmid: - '28660061' intvolume: ' 8' issue: '6' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1039/C7SC00599G month: '04' oa: 1 oa_version: Published Version page: 4340-4346 pmid: 1 publication: Chemical Science publication_identifier: eissn: - 2041-6539 issn: - 2041-6520 publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' scopus_import: '1' status: public title: Reversible on-surface wiring of resistive circuits type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 8 year: '2017' ...