[{"status":"public","main_file_link":[{"url":"https://doi.org/10.1093/mnrasl/slu136","open_access":"1"}],"doi":"10.1093/mnrasl/slu136","date_published":"2014-09-18T00:00:00Z","citation":{"apa":"McKernan, B., Ford, K. E. S., Kocsis, B., &#38; Haiman, Z. (2014). Stars as resonant absorbers of gravitational waves. <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. Oxford University Press. <a href=\"https://doi.org/10.1093/mnrasl/slu136\">https://doi.org/10.1093/mnrasl/slu136</a>","mla":"McKernan, B., et al. “Stars as Resonant Absorbers of Gravitational Waves.” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>, vol. 445, no. 1, Oxford University Press, 2014, pp. L74–78, doi:<a href=\"https://doi.org/10.1093/mnrasl/slu136\">10.1093/mnrasl/slu136</a>.","ieee":"B. McKernan, K. E. S. Ford, B. Kocsis, and Z. Haiman, “Stars as resonant absorbers of gravitational waves,” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>, vol. 445, no. 1. Oxford University Press, pp. L74–L78, 2014.","short":"B. McKernan, K.E.S. Ford, B. Kocsis, Z. Haiman, Monthly Notices of the Royal Astronomical Society: Letters 445 (2014) L74–L78.","chicago":"McKernan, B., K. E. S. Ford, B. Kocsis, and Zoltán Haiman. “Stars as Resonant Absorbers of Gravitational Waves.” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. Oxford University Press, 2014. <a href=\"https://doi.org/10.1093/mnrasl/slu136\">https://doi.org/10.1093/mnrasl/slu136</a>.","ama":"McKernan B, Ford KES, Kocsis B, Haiman Z. Stars as resonant absorbers of gravitational waves. <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. 2014;445(1):L74-L78. doi:<a href=\"https://doi.org/10.1093/mnrasl/slu136\">10.1093/mnrasl/slu136</a>","ista":"McKernan B, Ford KES, Kocsis B, Haiman Z. 2014. Stars as resonant absorbers of gravitational waves. Monthly Notices of the Royal Astronomical Society: Letters. 445(1), L74–L78."},"oa_version":"Published Version","type":"journal_article","month":"09","abstract":[{"text":"Quadrupole oscillation modes in stars can resonate with incident gravitational waves (GWs), and grow non-linear at the expense of GW energy. Stars near massive black hole binaries (MBHBs) can act as GW-charged batteries, discharging radiatively. Mass-loss from these stars can prompt MBHB accretion at near-Eddington rates. GW opacity is independent of amplitude, so distant resonating stars can eclipse GW sources. Absorption by the Sun of GWs from Galactic white dwarf binaries may be detectable with second-generation space-based GW detectors as a shadow within a complex diffraction pattern.","lang":"eng"}],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","publication_status":"published","issue":"1","fulldoi":"https://doi.org/10.1093/mnrasl/slu136","date_updated":"2024-09-25T09:58:34Z","article_processing_charge":"No","extern":"1","_id":"17692","date_created":"2024-09-06T08:38:54Z","page":"L74-L78","title":"Stars as resonant absorbers of gravitational waves","quality_controlled":"1","author":[{"last_name":"McKernan","full_name":"McKernan, B.","first_name":"B."},{"first_name":"K. E. S.","last_name":"Ford","full_name":"Ford, K. E. S."},{"last_name":"Kocsis","full_name":"Kocsis, B.","first_name":"B."},{"id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36","last_name":"Haiman","full_name":"Haiman, Zoltán","first_name":"Zoltán"}],"article_type":"original","publication_identifier":{"issn":["1745-3933","1745-3925"]},"publisher":"Oxford University Press","scopus_import":"1","day":"18","volume":445,"publication":"Monthly Notices of the Royal Astronomical Society: Letters","oa":1,"intvolume":"       445","year":"2014","language":[{"iso":"eng"}]},{"scopus_import":"1","publisher":"American Physical Society","publication_identifier":{"issn":["1550-7998","1550-2368"]},"article_type":"original","author":[{"full_name":"Liu, Jia","last_name":"Liu","first_name":"Jia"},{"first_name":"Zoltán","full_name":"Haiman, Zoltán","id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36","last_name":"Haiman"},{"first_name":"Lam","last_name":"Hui","full_name":"Hui, Lam"},{"last_name":"Kratochvil","full_name":"Kratochvil, Jan M.","first_name":"Jan M."},{"full_name":"May, Morgan","last_name":"May","first_name":"Morgan"}],"quality_controlled":"1","title":"Impact of magnification and size bias on the weak lensing power spectrum and peak statistics","_id":"17703","date_created":"2024-09-06T08:49:04Z","extern":"1","language":[{"iso":"eng"}],"year":"2014","intvolume":"        89","oa":1,"volume":89,"publication":"Physical Review D","day":"21","arxiv":1,"abstract":[{"lang":"eng","text":"The weak lensing power spectrum is a powerful tool to probe cosmological parameters. Additionally, lensing peak counts contain cosmological information beyond the power spectrum. Both of these statistics can be affected by the preferential selection of source galaxies in patches of the sky with high magnification, as well as by the dilution in the source galaxy surface density in such regions. If not accounted for, these biases introduce systematic errors for cosmological measurements. Here we quantify these systematic errors, using convergence maps from a suite of ray-tracing N-body simulations. At the cut-off magnitude m of on-going and planned major weak lensing surveys, the logarithmic slope of the cumulative number counts s = dlog[n(>m)]/dlog(m) is in the range 0.1 < s < 0.5. At s = 0.2, expected in the I band for LSST, the inferred values of Omega_m, w and sigma_8 are biased by many sigma (where sigma denotes the marginalized error) and therefore the biases will need to be carefully modeled. We also find that the parameters are biased differently in the (Omega_m, w, sigma_8) parameter space when the power spectrum and when the peak counts are used. In particular, w derived from the power spectrum is less affected than w derived from peak counts, while the opposite is true for the best-constrained combination of [sigma_8 Omega_m^gamma] (with gamma=0.62 from the power spectrum and gamma = 0.48 from peak counts). This suggests that the combination of the power spectrum and peak counts can help mitigate the impact of magnification and size biases."}],"month":"01","external_id":{"arxiv":["1310.7517"]},"type":"journal_article","oa_version":"Preprint","citation":{"ieee":"J. Liu, Z. Haiman, L. Hui, J. M. Kratochvil, and M. May, “Impact of magnification and size bias on the weak lensing power spectrum and peak statistics,” <i>Physical Review D</i>, vol. 89, no. 2. American Physical Society, 2014.","short":"J. Liu, Z. Haiman, L. Hui, J.M. Kratochvil, M. May, Physical Review D 89 (2014).","ista":"Liu J, Haiman Z, Hui L, Kratochvil JM, May M. 2014. Impact of magnification and size bias on the weak lensing power spectrum and peak statistics. Physical Review D. 89(2), 023515.","ama":"Liu J, Haiman Z, Hui L, Kratochvil JM, May M. Impact of magnification and size bias on the weak lensing power spectrum and peak statistics. <i>Physical Review D</i>. 2014;89(2). doi:<a href=\"https://doi.org/10.1103/physrevd.89.023515\">10.1103/physrevd.89.023515</a>","chicago":"Liu, Jia, Zoltán Haiman, Lam Hui, Jan M. Kratochvil, and Morgan May. “Impact of Magnification and Size Bias on the Weak Lensing Power Spectrum and Peak Statistics.” <i>Physical Review D</i>. American Physical Society, 2014. <a href=\"https://doi.org/10.1103/physrevd.89.023515\">https://doi.org/10.1103/physrevd.89.023515</a>.","mla":"Liu, Jia, et al. “Impact of Magnification and Size Bias on the Weak Lensing Power Spectrum and Peak Statistics.” <i>Physical Review D</i>, vol. 89, no. 2, 023515, American Physical Society, 2014, doi:<a href=\"https://doi.org/10.1103/physrevd.89.023515\">10.1103/physrevd.89.023515</a>.","apa":"Liu, J., Haiman, Z., Hui, L., Kratochvil, J. M., &#38; May, M. (2014). Impact of magnification and size bias on the weak lensing power spectrum and peak statistics. <i>Physical Review D</i>. American Physical Society. <a href=\"https://doi.org/10.1103/physrevd.89.023515\">https://doi.org/10.1103/physrevd.89.023515</a>"},"date_published":"2014-01-21T00:00:00Z","doi":"10.1103/physrevd.89.023515","main_file_link":[{"url":" https://doi.org/10.48550/arXiv.1310.7517","open_access":"1"}],"status":"public","article_number":"023515","article_processing_charge":"No","fulldoi":"https://doi.org/10.1103/physrevd.89.023515","date_updated":"2024-09-25T11:33:58Z","publication_status":"published","issue":"2","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345"},{"extern":"1","_id":"17977","page":"1988-1995","date_created":"2024-09-09T10:56:21Z","publication_identifier":{"eissn":["1932-7455"],"issn":["1932-7447"]},"publisher":"American Chemical Society","scopus_import":"1","title":"Computational study of amino mediated molecular interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111)","quality_controlled":"1","author":[{"full_name":"Balducci, Gabriele","last_name":"Balducci","first_name":"Gabriele"},{"first_name":"Michele","last_name":"Romeo","full_name":"Romeo, Michele"},{"first_name":"Mauro","last_name":"Stener","full_name":"Stener, Mauro"},{"first_name":"Giovanna","last_name":"Fronzoni","full_name":"Fronzoni, Giovanna"},{"first_name":"Dean","last_name":"Cvetko","full_name":"Cvetko, Dean"},{"first_name":"Albano","full_name":"Cossaro, Albano","last_name":"Cossaro"},{"full_name":"Dell’Angela, Martina","last_name":"Dell’Angela","first_name":"Martina"},{"first_name":"Gregor","full_name":"Kladnik, Gregor","last_name":"Kladnik"},{"orcid":"0000-0002-6957-6089","first_name":"Latha","last_name":"Venkataraman","full_name":"Venkataraman, Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"},{"first_name":"Alberto","last_name":"Morgante","full_name":"Morgante, Alberto"}],"article_type":"original","volume":119,"publication":"The Journal of Physical Chemistry C","day":"29","year":"2014","language":[{"iso":"eng"}],"intvolume":"       119","date_published":"2014-12-29T00:00:00Z","citation":{"chicago":"Balducci, Gabriele, Michele Romeo, Mauro Stener, Giovanna Fronzoni, Dean Cvetko, Albano Cossaro, Martina Dell’Angela, Gregor Kladnik, Latha Venkataraman, and Alberto Morgante. “Computational Study of Amino Mediated Molecular Interaction Evidenced in N 1s NEXAFS: 1,4-Diaminobenzene on Au (111).” <i>The Journal of Physical Chemistry C</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/jp512146t\">https://doi.org/10.1021/jp512146t</a>.","ama":"Balducci G, Romeo M, Stener M, et al. Computational study of amino mediated molecular interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111). <i>The Journal of Physical Chemistry C</i>. 2014;119(4):1988-1995. doi:<a href=\"https://doi.org/10.1021/jp512146t\">10.1021/jp512146t</a>","ista":"Balducci G, Romeo M, Stener M, Fronzoni G, Cvetko D, Cossaro A, Dell’Angela M, Kladnik G, Venkataraman L, Morgante A. 2014. Computational study of amino mediated molecular interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111). The Journal of Physical Chemistry C. 119(4), 1988–1995.","ieee":"G. Balducci <i>et al.</i>, “Computational study of amino mediated molecular interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111),” <i>The Journal of Physical Chemistry C</i>, vol. 119, no. 4. American Chemical Society, pp. 1988–1995, 2014.","short":"G. Balducci, M. Romeo, M. Stener, G. Fronzoni, D. Cvetko, A. Cossaro, M. Dell’Angela, G. Kladnik, L. Venkataraman, A. Morgante, The Journal of Physical Chemistry C 119 (2014) 1988–1995.","mla":"Balducci, Gabriele, et al. “Computational Study of Amino Mediated Molecular Interaction Evidenced in N 1s NEXAFS: 1,4-Diaminobenzene on Au (111).” <i>The Journal of Physical Chemistry C</i>, vol. 119, no. 4, American Chemical Society, 2014, pp. 1988–95, doi:<a href=\"https://doi.org/10.1021/jp512146t\">10.1021/jp512146t</a>.","apa":"Balducci, G., Romeo, M., Stener, M., Fronzoni, G., Cvetko, D., Cossaro, A., … Morgante, A. (2014). Computational study of amino mediated molecular interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111). <i>The Journal of Physical Chemistry C</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jp512146t\">https://doi.org/10.1021/jp512146t</a>"},"status":"public","OA_type":"closed access","doi":"10.1021/jp512146t","month":"12","abstract":[{"lang":"eng","text":"Primary amines can interact with neighbor molecules or with a metal substrate via weak bonds involving the electron lone pair of their amino functional group. Near edge X-ray absorption spectra (NEXAFS) on the N 1s edge show that the structure of the empty molecular orbitals localized on the nitrogen atom is very sensitive to these interactions. Here we investigate the origin of these changes by means of theoretical calculations. NEXAFS spectra are simulated for the 1,4-benzenediamine (BDA) molecule in its free, crystalline, and monolayer on Au(111) forms. We identify the electronic states which are affected by these amino-based interactions. In the case of the molecular layer grown on the gold substrate, we show how the results of the calculations can be used to identify intermolecular interactions influencing adsorption geometries in molecular monolayers."}],"oa_version":"None","type":"journal_article","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_status":"published","issue":"4","date_updated":"2025-01-02T13:40:42Z","fulldoi":"https://doi.org/10.1021/jp512146t","article_processing_charge":"No"},{"date_created":"2024-09-09T10:57:04Z","_id":"17978","page":"4419-4423","extern":"1","publisher":"Royal Society of Chemistry","publication_identifier":{"issn":["2041-6520"],"eissn":["2041-6539"]},"scopus_import":"1","quality_controlled":"1","title":"Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy","article_type":"original","author":[{"full_name":"Batra, Arunabh","last_name":"Batra","first_name":"Arunabh"},{"first_name":"Dean","full_name":"Cvetko, Dean","last_name":"Cvetko"},{"first_name":"Gregor","last_name":"Kladnik","full_name":"Kladnik, Gregor"},{"full_name":"Adak, Olgun","last_name":"Adak","first_name":"Olgun"},{"full_name":"Cardoso, Claudia","last_name":"Cardoso","first_name":"Claudia"},{"full_name":"Ferretti, Andrea","last_name":"Ferretti","first_name":"Andrea"},{"full_name":"Prezzi, Deborah","last_name":"Prezzi","first_name":"Deborah"},{"first_name":"Elisa","full_name":"Molinari, Elisa","last_name":"Molinari"},{"full_name":"Morgante, Alberto","last_name":"Morgante","first_name":"Alberto"},{"last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","full_name":"Venkataraman, Latha","first_name":"Latha","orcid":"0000-0002-6957-6089"}],"volume":5,"publication":"Chemical Science","day":"31","year":"2014","language":[{"iso":"eng"}],"intvolume":"         5","date_published":"2014-07-31T00:00:00Z","citation":{"short":"A. Batra, D. Cvetko, G. Kladnik, O. Adak, C. Cardoso, A. Ferretti, D. Prezzi, E. Molinari, A. Morgante, L. Venkataraman, Chemical Science 5 (2014) 4419–4423.","ieee":"A. Batra <i>et al.</i>, “Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy,” <i>Chemical Science</i>, vol. 5, no. 11. Royal Society of Chemistry, pp. 4419–4423, 2014.","ama":"Batra A, Cvetko D, Kladnik G, et al. Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy. <i>Chemical Science</i>. 2014;5(11):4419-4423. doi:<a href=\"https://doi.org/10.1039/c4sc01584c\">10.1039/c4sc01584c</a>","ista":"Batra A, Cvetko D, Kladnik G, Adak O, Cardoso C, Ferretti A, Prezzi D, Molinari E, Morgante A, Venkataraman L. 2014. Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy. Chemical Science. 5(11), 4419–4423.","chicago":"Batra, Arunabh, Dean Cvetko, Gregor Kladnik, Olgun Adak, Claudia Cardoso, Andrea Ferretti, Deborah Prezzi, Elisa Molinari, Alberto Morgante, and Latha Venkataraman. “Probing the Mechanism for Graphene Nanoribbon Formation on Gold Surfaces through X-Ray Spectroscopy.” <i>Chemical Science</i>. Royal Society of Chemistry, 2014. <a href=\"https://doi.org/10.1039/c4sc01584c\">https://doi.org/10.1039/c4sc01584c</a>.","apa":"Batra, A., Cvetko, D., Kladnik, G., Adak, O., Cardoso, C., Ferretti, A., … Venkataraman, L. (2014). Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy. <i>Chemical Science</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/c4sc01584c\">https://doi.org/10.1039/c4sc01584c</a>","mla":"Batra, Arunabh, et al. “Probing the Mechanism for Graphene Nanoribbon Formation on Gold Surfaces through X-Ray Spectroscopy.” <i>Chemical Science</i>, vol. 5, no. 11, Royal Society of Chemistry, 2014, pp. 4419–23, doi:<a href=\"https://doi.org/10.1039/c4sc01584c\">10.1039/c4sc01584c</a>."},"status":"public","OA_type":"closed access","doi":"10.1039/c4sc01584c","month":"07","abstract":[{"text":"We studied the formation of graphene nanoribbons (GNRs) via the self-assembly of 10,10′-dibromo-9,9′-bianthryl precursor molecules on gold surfaces with different synchrotron spectroscopies. Through X-ray photoemission spectroscopy core-level shifts, we followed each step of the synthetic process, and could show that the Br–C bonds of the precursors cleave at temperatures as low as 100 °C on both Au(111) and Au(110). We established that the resulting radicals bind to Au, forming Au–C and Au–Br bonds. We show that the polymerization of the precursors follows Br desorption from Au, suggesting that the presence of halogens is the limiting factor in this step. Finally, with angle-resolved ultraviolet photoemission spectroscopy and density functional theory we show that the GNR/Au interaction results in an upshift of the Shockley surface state of Au(111) by ∼0.14 eV, together with an increased electron effective mass.","lang":"eng"}],"oa_version":"None","type":"journal_article","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2025-01-02T13:44:36Z","fulldoi":"https://doi.org/10.1039/c4sc01584c","publication_status":"published","issue":"11","article_processing_charge":"No"},{"publication_status":"published","issue":"9","fulldoi":"https://doi.org/10.1021/nl5025062","date_updated":"2025-01-02T13:46:59Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"article_processing_charge":"No","citation":{"mla":"Liu, Zhen-Fei, et al. “Control of Single-Molecule Junction Conductance of Porphyrins via a Transition-Metal Center.” <i>Nano Letters</i>, vol. 14, no. 9, American Chemical Society, 2014, pp. 5365–70, doi:<a href=\"https://doi.org/10.1021/nl5025062\">10.1021/nl5025062</a>.","apa":"Liu, Z.-F., Wei, S., Yoon, H., Adak, O., Ponce, I., Jiang, Y., … Neaton, J. B. (2014). Control of single-molecule junction conductance of porphyrins via a transition-metal center. <i>Nano Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/nl5025062\">https://doi.org/10.1021/nl5025062</a>","short":"Z.-F. Liu, S. Wei, H. Yoon, O. Adak, I. Ponce, Y. Jiang, W.-D. Jang, L.M. Campos, L. Venkataraman, J.B. Neaton, Nano Letters 14 (2014) 5365–5370.","ieee":"Z.-F. Liu <i>et al.</i>, “Control of single-molecule junction conductance of porphyrins via a transition-metal center,” <i>Nano Letters</i>, vol. 14, no. 9. American Chemical Society, pp. 5365–5370, 2014.","ista":"Liu Z-F, Wei S, Yoon H, Adak O, Ponce I, Jiang Y, Jang W-D, Campos LM, Venkataraman L, Neaton JB. 2014. Control of single-molecule junction conductance of porphyrins via a transition-metal center. Nano Letters. 14(9), 5365–5370.","ama":"Liu Z-F, Wei S, Yoon H, et al. Control of single-molecule junction conductance of porphyrins via a transition-metal center. <i>Nano Letters</i>. 2014;14(9):5365-5370. doi:<a href=\"https://doi.org/10.1021/nl5025062\">10.1021/nl5025062</a>","chicago":"Liu, Zhen-Fei, Sujun Wei, Hongsik Yoon, Olgun Adak, Ingrid Ponce, Yivan Jiang, Woo-Dong Jang, Luis M. Campos, Latha Venkataraman, and Jeffrey B. Neaton. “Control of Single-Molecule Junction Conductance of Porphyrins via a Transition-Metal Center.” <i>Nano Letters</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/nl5025062\">https://doi.org/10.1021/nl5025062</a>."},"date_published":"2014-08-11T00:00:00Z","OA_type":"closed access","doi":"10.1021/nl5025062","status":"public","abstract":[{"text":"Using scanning tunneling microscope break-junction experiments and a new first-principles approach to conductance calculations, we report and explain low-bias charge transport behavior of four types of metal–porphyrin–gold molecular junctions. A nonequilibrium Green’s function approach based on self-energy corrected density functional theory and optimally tuned range-separated hybrid functionals is developed and used to understand experimental trends quantitatively. Importantly, due to the localized d states of the porphyrin molecules, hybrid functionals are essential for explaining measurements; standard semilocal functionals yield qualitatively incorrect results. Comparing directly with experiments, we show that the conductance can change by nearly a factor of 2 when different metal cations are used, counter to trends expected from gas-phase ionization energies which are relatively unchanged with the metal center. Our work explains the sensitivity of the porphyrin conductance with the metal center via a detailed and quantitative portrait of the interface electronic structure and provides a new framework for understanding transport quantitatively in complex junctions involving molecules with localized d states of relevance to light harvesting and energy conversion.","lang":"eng"}],"month":"08","type":"journal_article","external_id":{"pmid":["25111197"]},"oa_version":"None","volume":14,"publication":"Nano Letters","day":"11","language":[{"iso":"eng"}],"year":"2014","intvolume":"        14","extern":"1","_id":"17979","date_created":"2024-09-09T10:57:42Z","page":"5365-5370","scopus_import":"1","publication_identifier":{"eissn":["1530-6992"],"issn":["1530-6984"]},"publisher":"American Chemical Society","article_type":"letter_note","author":[{"full_name":"Liu, Zhen-Fei","last_name":"Liu","first_name":"Zhen-Fei"},{"last_name":"Wei","full_name":"Wei, Sujun","first_name":"Sujun"},{"first_name":"Hongsik","last_name":"Yoon","full_name":"Yoon, Hongsik"},{"first_name":"Olgun","last_name":"Adak","full_name":"Adak, Olgun"},{"first_name":"Ingrid","full_name":"Ponce, Ingrid","last_name":"Ponce"},{"first_name":"Yivan","full_name":"Jiang, Yivan","last_name":"Jiang"},{"first_name":"Woo-Dong","full_name":"Jang, Woo-Dong","last_name":"Jang"},{"first_name":"Luis M.","full_name":"Campos, Luis M.","last_name":"Campos"},{"orcid":"0000-0002-6957-6089","first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","full_name":"Venkataraman, Latha"},{"full_name":"Neaton, Jeffrey B.","last_name":"Neaton","first_name":"Jeffrey B."}],"title":"Control of single-molecule junction conductance of porphyrins via a transition-metal center","quality_controlled":"1"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_status":"published","issue":"36","fulldoi":"https://doi.org/10.1021/ja5061406","date_updated":"2025-01-02T13:49:12Z","article_processing_charge":"No","pmid":1,"status":"public","doi":"10.1021/ja5061406","date_published":"2014-08-14T00:00:00Z","citation":{"mla":"Batra, Arunabh, et al. “Trimethyltin-Mediated Covalent Gold–Carbon Bond Formation.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 36, American Chemical Society, 2014, pp. 12556–59, doi:<a href=\"https://doi.org/10.1021/ja5061406\">10.1021/ja5061406</a>.","apa":"Batra, A., Kladnik, G., Gorjizadeh, N., Meisner, J., Steigerwald, M., Nuckolls, C., … Venkataraman, L. (2014). Trimethyltin-mediated covalent Gold–Carbon bond formation. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja5061406\">https://doi.org/10.1021/ja5061406</a>","ama":"Batra A, Kladnik G, Gorjizadeh N, et al. Trimethyltin-mediated covalent Gold–Carbon bond formation. <i>Journal of the American Chemical Society</i>. 2014;136(36):12556-12559. doi:<a href=\"https://doi.org/10.1021/ja5061406\">10.1021/ja5061406</a>","ista":"Batra A, Kladnik G, Gorjizadeh N, Meisner J, Steigerwald M, Nuckolls C, Quek SY, Cvetko D, Morgante A, Venkataraman L. 2014. Trimethyltin-mediated covalent Gold–Carbon bond formation. Journal of the American Chemical Society. 136(36), 12556–12559.","chicago":"Batra, Arunabh, Gregor Kladnik, Narjes Gorjizadeh, Jeffrey Meisner, Michael Steigerwald, Colin Nuckolls, Su Ying Quek, Dean Cvetko, Alberto Morgante, and Latha Venkataraman. “Trimethyltin-Mediated Covalent Gold–Carbon Bond Formation.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja5061406\">https://doi.org/10.1021/ja5061406</a>.","short":"A. Batra, G. Kladnik, N. Gorjizadeh, J. Meisner, M. Steigerwald, C. Nuckolls, S.Y. Quek, D. Cvetko, A. Morgante, L. Venkataraman, Journal of the American Chemical Society 136 (2014) 12556–12559.","ieee":"A. Batra <i>et al.</i>, “Trimethyltin-mediated covalent Gold–Carbon bond formation,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 36. American Chemical Society, pp. 12556–12559, 2014."},"oa_version":"None","type":"journal_article","external_id":{"pmid":["25121718"]},"month":"08","abstract":[{"text":"We study the formation of covalent gold–carbon bonds in benzyltrimethylstannane (C10H16Sn) deposited on Au in ultra-high-vacuum conditions. Through X-ray photoemission spectroscopy and X-ray absorption measurements, we find that the molecule fragments at the Sn–benzyl bond when exposed to Au surfaces at temperatures as low as −110 °C. The resulting benzyl species is stabilized by the presence of Au(111) but only forms covalent Au–C bonds on more reactive Au surfaces like Au(110). We also present spectroscopic proof for the existence of an electronic “gateway” state localized on the Au–C bond that is responsible for its unique electronic properties. Finally, we use DFT-based nudged elastic band calculations to elucidate the crucial role played by the under-coordinated Au surface in the formation of Au–C bonds.","lang":"eng"}],"day":"14","volume":136,"publication":"Journal of the American Chemical Society","intvolume":"       136","year":"2014","language":[{"iso":"eng"}],"extern":"1","date_created":"2024-09-09T10:59:21Z","_id":"17980","page":"12556-12559","title":"Trimethyltin-mediated covalent Gold–Carbon bond formation","quality_controlled":"1","article_type":"letter_note","author":[{"last_name":"Batra","full_name":"Batra, Arunabh","first_name":"Arunabh"},{"full_name":"Kladnik, Gregor","last_name":"Kladnik","first_name":"Gregor"},{"last_name":"Gorjizadeh","full_name":"Gorjizadeh, Narjes","first_name":"Narjes"},{"full_name":"Meisner, Jeffrey","last_name":"Meisner","first_name":"Jeffrey"},{"full_name":"Steigerwald, Michael","last_name":"Steigerwald","first_name":"Michael"},{"full_name":"Nuckolls, Colin","last_name":"Nuckolls","first_name":"Colin"},{"first_name":"Su Ying","full_name":"Quek, Su Ying","last_name":"Quek"},{"first_name":"Dean","last_name":"Cvetko","full_name":"Cvetko, Dean"},{"full_name":"Morgante, Alberto","last_name":"Morgante","first_name":"Alberto"},{"last_name":"Venkataraman","full_name":"Venkataraman, Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","first_name":"Latha"}],"publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"publisher":"American Chemical Society","scopus_import":"1"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2025-01-02T14:02:21Z","fulldoi":"https://doi.org/10.1039/c4fd90049a","publication_status":"published","article_processing_charge":"No","pmid":1,"status":"public","doi":"10.1039/c4fd90049a","date_published":"2014-11-18T00:00:00Z","citation":{"short":"J. Hodgkiss, E. Zysman-Colman, S. Higgins, G. Solomon, I. Bâldea, I. Samuel, L. Venkataraman, F. Wudl, B. Xu, R. Venkatramani, H. Ottosson, D. Perepichka, U. Lemmer, P. Skabara, A. Mount, D. Bradley, Faraday Discuss. 174 (2014) 125–151.","ieee":"J. Hodgkiss <i>et al.</i>, “Molecular electronics: General discussion,” <i>Faraday Discuss.</i>, vol. 174. Royal Society of Chemistry, pp. 125–151, 2014.","ista":"Hodgkiss J, Zysman-Colman E, Higgins S, Solomon G, Bâldea I, Samuel I, Venkataraman L, Wudl F, Xu B, Venkatramani R, Ottosson H, Perepichka D, Lemmer U, Skabara P, Mount A, Bradley D. 2014. Molecular electronics: General discussion. Faraday Discuss. 174, 125–151.","chicago":"Hodgkiss, Justin, Eli Zysman-Colman, Simon Higgins, Gemma Solomon, Ioan Bâldea, Ifor Samuel, Latha Venkataraman, et al. “Molecular Electronics: General Discussion.” <i>Faraday Discuss.</i> Royal Society of Chemistry, 2014. <a href=\"https://doi.org/10.1039/c4fd90049a\">https://doi.org/10.1039/c4fd90049a</a>.","ama":"Hodgkiss J, Zysman-Colman E, Higgins S, et al. Molecular electronics: General discussion. <i>Faraday Discuss</i>. 2014;174:125-151. doi:<a href=\"https://doi.org/10.1039/c4fd90049a\">10.1039/c4fd90049a</a>","apa":"Hodgkiss, J., Zysman-Colman, E., Higgins, S., Solomon, G., Bâldea, I., Samuel, I., … Bradley, D. (2014). Molecular electronics: General discussion. <i>Faraday Discuss.</i> Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/c4fd90049a\">https://doi.org/10.1039/c4fd90049a</a>","mla":"Hodgkiss, Justin, et al. “Molecular Electronics: General Discussion.” <i>Faraday Discuss.</i>, vol. 174, Royal Society of Chemistry, 2014, pp. 125–51, doi:<a href=\"https://doi.org/10.1039/c4fd90049a\">10.1039/c4fd90049a</a>."},"oa_version":"None","type":"journal_article","external_id":{"pmid":["25406517"]},"month":"11","day":"18","publication":"Faraday Discuss.","volume":174,"intvolume":"       174","year":"2014","language":[{"iso":"eng"}],"_id":"17981","date_created":"2024-09-09T11:03:37Z","page":"125-151","extern":"1","quality_controlled":"1","title":"Molecular electronics: General discussion","author":[{"first_name":"Justin","last_name":"Hodgkiss","full_name":"Hodgkiss, Justin"},{"full_name":"Zysman-Colman, Eli","last_name":"Zysman-Colman","first_name":"Eli"},{"first_name":"Simon","full_name":"Higgins, Simon","last_name":"Higgins"},{"first_name":"Gemma","full_name":"Solomon, Gemma","last_name":"Solomon"},{"full_name":"Bâldea, Ioan","last_name":"Bâldea","first_name":"Ioan"},{"last_name":"Samuel","full_name":"Samuel, Ifor","first_name":"Ifor"},{"last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","full_name":"Venkataraman, Latha","first_name":"Latha","orcid":"0000-0002-6957-6089"},{"first_name":"Fred","full_name":"Wudl, Fred","last_name":"Wudl"},{"first_name":"Bingqian","full_name":"Xu, Bingqian","last_name":"Xu"},{"first_name":"Ravindra","last_name":"Venkatramani","full_name":"Venkatramani, Ravindra"},{"last_name":"Ottosson","full_name":"Ottosson, Henrik","first_name":"Henrik"},{"last_name":"Perepichka","full_name":"Perepichka, Dmitrii","first_name":"Dmitrii"},{"last_name":"Lemmer","full_name":"Lemmer, Uli","first_name":"Uli"},{"first_name":"Peter","last_name":"Skabara","full_name":"Skabara, Peter"},{"full_name":"Mount, Andrew","last_name":"Mount","first_name":"Andrew"},{"last_name":"Bradley","full_name":"Bradley, Donal","first_name":"Donal"}],"article_type":"original","publisher":"Royal Society of Chemistry","publication_identifier":{"eissn":["1364-5498"],"issn":["1359-6640"]},"scopus_import":"1"},{"day":"17","publication":"Faraday Discussions","volume":174,"intvolume":"       174","language":[{"iso":"eng"}],"year":"2014","extern":"1","date_created":"2024-09-09T11:04:25Z","_id":"17982","page":"79-89","article_type":"original","author":[{"first_name":"Arunabh","last_name":"Batra","full_name":"Batra, Arunabh"},{"first_name":"Jeffrey S.","full_name":"Meisner, Jeffrey S.","last_name":"Meisner"},{"full_name":"Darancet, Pierre","last_name":"Darancet","first_name":"Pierre"},{"last_name":"Chen","full_name":"Chen, Qishui","first_name":"Qishui"},{"full_name":"Steigerwald, Michael L.","last_name":"Steigerwald","first_name":"Michael L."},{"first_name":"Colin","last_name":"Nuckolls","full_name":"Nuckolls, Colin"},{"orcid":"0000-0002-6957-6089","first_name":"Latha","full_name":"Venkataraman, Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}],"title":"Molecular diodes enabled by quantum interference","quality_controlled":"1","scopus_import":"1","publication_identifier":{"eissn":["1364-5498"],"issn":["1359-6640"]},"publisher":"Royal Society of Chemistry","publication_status":"published","fulldoi":"https://doi.org/10.1039/c4fd00093e","date_updated":"2025-01-02T14:04:45Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","article_processing_charge":"No","pmid":1,"doi":"10.1039/c4fd00093e","OA_type":"closed access","status":"public","citation":{"mla":"Batra, Arunabh, et al. “Molecular Diodes Enabled by Quantum Interference.” <i>Faraday Discussions</i>, vol. 174, Royal Society of Chemistry, 2014, pp. 79–89, doi:<a href=\"https://doi.org/10.1039/c4fd00093e\">10.1039/c4fd00093e</a>.","apa":"Batra, A., Meisner, J. S., Darancet, P., Chen, Q., Steigerwald, M. L., Nuckolls, C., &#38; Venkataraman, L. (2014). Molecular diodes enabled by quantum interference. <i>Faraday Discussions</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/c4fd00093e\">https://doi.org/10.1039/c4fd00093e</a>","ama":"Batra A, Meisner JS, Darancet P, et al. Molecular diodes enabled by quantum interference. <i>Faraday Discussions</i>. 2014;174:79-89. doi:<a href=\"https://doi.org/10.1039/c4fd00093e\">10.1039/c4fd00093e</a>","chicago":"Batra, Arunabh, Jeffrey S. Meisner, Pierre Darancet, Qishui Chen, Michael L. Steigerwald, Colin Nuckolls, and Latha Venkataraman. “Molecular Diodes Enabled by Quantum Interference.” <i>Faraday Discussions</i>. Royal Society of Chemistry, 2014. <a href=\"https://doi.org/10.1039/c4fd00093e\">https://doi.org/10.1039/c4fd00093e</a>.","ista":"Batra A, Meisner JS, Darancet P, Chen Q, Steigerwald ML, Nuckolls C, Venkataraman L. 2014. Molecular diodes enabled by quantum interference. Faraday Discussions. 174, 79–89.","ieee":"A. Batra <i>et al.</i>, “Molecular diodes enabled by quantum interference,” <i>Faraday Discussions</i>, vol. 174. Royal Society of Chemistry, pp. 79–89, 2014.","short":"A. Batra, J.S. Meisner, P. Darancet, Q. Chen, M.L. Steigerwald, C. Nuckolls, L. Venkataraman, Faraday Discussions 174 (2014) 79–89."},"date_published":"2014-06-17T00:00:00Z","external_id":{"pmid":["25268850"]},"type":"journal_article","oa_version":"None","abstract":[{"text":"We use scanning tunneling microscope break-junction (STM-BJ) measurements to study the low-bias conductance and high-bias current–voltage (IV) characteristics of a series of asymmetric para–meta connected diphenyl-oligoenes. From tight-binding calculations, we determine that the quantum interference features inherent in our molecular design result in a ‘through-bond’ coupling on the para-side, and through-space coupling on the meta-side. We show that these molecular junctions form single molecule diodes, and show that the rectification results from a difference in the voltage dependence of the coupling strength on the through-bond and the through-space side. The interplay between the applied voltage and the molecule–metal coupling results from the asymmetric polarizability of the conducting orbital under an external field.","lang":"eng"}],"month":"06"},{"publication":"Journal of the American Chemical Society","volume":136,"day":"08","language":[{"iso":"eng"}],"year":"2014","intvolume":"       136","extern":"1","page":"10486-10492","_id":"17983","date_created":"2024-09-09T11:06:46Z","scopus_import":"1","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"publisher":"American Chemical Society","author":[{"first_name":"Brian","last_name":"Capozzi","full_name":"Capozzi, Brian"},{"full_name":"Dell, Emma J.","last_name":"Dell","first_name":"Emma J."},{"first_name":"Timothy C.","full_name":"Berkelbach, Timothy C.","last_name":"Berkelbach"},{"first_name":"David R.","full_name":"Reichman, David R.","last_name":"Reichman"},{"last_name":"Venkataraman","full_name":"Venkataraman, Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","first_name":"Latha","orcid":"0000-0002-6957-6089"},{"full_name":"Campos, Luis M.","last_name":"Campos","first_name":"Luis M."}],"article_type":"original","title":"Length-dependent conductance of oligothiophenes","quality_controlled":"1","publication_status":"published","issue":"29","date_updated":"2025-01-02T14:06:54Z","fulldoi":"https://doi.org/10.1021/ja505277z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"article_processing_charge":"No","citation":{"ieee":"B. Capozzi, E. J. Dell, T. C. Berkelbach, D. R. Reichman, L. Venkataraman, and L. M. Campos, “Length-dependent conductance of oligothiophenes,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 29. American Chemical Society, pp. 10486–10492, 2014.","short":"B. Capozzi, E.J. Dell, T.C. Berkelbach, D.R. Reichman, L. Venkataraman, L.M. Campos, Journal of the American Chemical Society 136 (2014) 10486–10492.","ista":"Capozzi B, Dell EJ, Berkelbach TC, Reichman DR, Venkataraman L, Campos LM. 2014. Length-dependent conductance of oligothiophenes. Journal of the American Chemical Society. 136(29), 10486–10492.","ama":"Capozzi B, Dell EJ, Berkelbach TC, Reichman DR, Venkataraman L, Campos LM. Length-dependent conductance of oligothiophenes. <i>Journal of the American Chemical Society</i>. 2014;136(29):10486-10492. doi:<a href=\"https://doi.org/10.1021/ja505277z\">10.1021/ja505277z</a>","chicago":"Capozzi, Brian, Emma J. Dell, Timothy C. Berkelbach, David R. Reichman, Latha Venkataraman, and Luis M. Campos. “Length-Dependent Conductance of Oligothiophenes.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja505277z\">https://doi.org/10.1021/ja505277z</a>.","apa":"Capozzi, B., Dell, E. J., Berkelbach, T. C., Reichman, D. R., Venkataraman, L., &#38; Campos, L. M. (2014). Length-dependent conductance of oligothiophenes. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja505277z\">https://doi.org/10.1021/ja505277z</a>","mla":"Capozzi, Brian, et al. “Length-Dependent Conductance of Oligothiophenes.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 29, American Chemical Society, 2014, pp. 10486–92, doi:<a href=\"https://doi.org/10.1021/ja505277z\">10.1021/ja505277z</a>."},"date_published":"2014-07-08T00:00:00Z","OA_type":"closed access","doi":"10.1021/ja505277z","status":"public","abstract":[{"lang":"eng","text":"We have measured the single-molecule conductance of a family of oligothiophenes comprising 1–6 thiophene moieties terminated with methyl-sulfide linkers using the scanning tunneling microscope-based break-junction technique. We find an anomalous behavior: the peak of the conductance histogram distribution does not follow a clear exponential decay with increasing number of thiophene units in the chain. The electronic properties of the materials were characterized by optical spectroscopy and electrochemistry to gain an understanding of the factors affecting the conductance of these molecules. We postulate that different conformers in the junction are a contributing factor to the anomalous trend in the observed conductance as a function of molecule length."}],"month":"07","external_id":{"pmid":["25003761"]},"type":"journal_article","oa_version":"None"},{"month":"06","abstract":[{"text":"A direct measurement of the potential energy surface that characterizes individual chemical bonds in complex materials has fundamental significance for many disciplines. Here, we demonstrate that the energy profile for metallic single-atom contacts and single-molecule junctions can be mapped by fitting ambient atomic force microscope measurements carried out in the near-equilibrium regime to a physical, but simple, functional form. We extract bond energies for junctions formed through metallic bonds as well as metal–molecule link bonds from atomic force microscope data and find that our results are in excellent quantitative agreement with density functional theory based calculations for exemplary junction structures. Furthermore, measurements from a large number of junctions can be collapsed to a single, universal force–extension curve, thus revealing a surprising degree of similarity in the overall shape of the potential surface that governs these chemical bonds. Compared to previous studies under ambient conditions where analysis was confined to trends in rupture force, our approach significantly expands the quantitative information extracted from these measurements, particularly allowing analysis of the trends in bond energy directly.","lang":"eng"}],"oa_version":"None","external_id":{"pmid":["24945851"]},"type":"journal_article","date_published":"2014-06-19T00:00:00Z","citation":{"short":"S.V. Aradhya, A. Nielsen, M.S. Hybertsen, L. Venkataraman, ACS Nano 8 (2014) 7522–7530.","ieee":"S. V. Aradhya, A. Nielsen, M. S. Hybertsen, and L. Venkataraman, “Quantitative bond energetics in atomic-scale junctions,” <i>ACS Nano</i>, vol. 8, no. 7. American Chemical Society, pp. 7522–7530, 2014.","ama":"Aradhya SV, Nielsen A, Hybertsen MS, Venkataraman L. Quantitative bond energetics in atomic-scale junctions. <i>ACS Nano</i>. 2014;8(7):7522-7530. doi:<a href=\"https://doi.org/10.1021/nn502836e\">10.1021/nn502836e</a>","chicago":"Aradhya, Sriharsha V., Aileen Nielsen, Mark S. Hybertsen, and Latha Venkataraman. “Quantitative Bond Energetics in Atomic-Scale Junctions.” <i>ACS Nano</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/nn502836e\">https://doi.org/10.1021/nn502836e</a>.","ista":"Aradhya SV, Nielsen A, Hybertsen MS, Venkataraman L. 2014. Quantitative bond energetics in atomic-scale junctions. ACS Nano. 8(7), 7522–7530.","mla":"Aradhya, Sriharsha V., et al. “Quantitative Bond Energetics in Atomic-Scale Junctions.” <i>ACS Nano</i>, vol. 8, no. 7, American Chemical Society, 2014, pp. 7522–30, doi:<a href=\"https://doi.org/10.1021/nn502836e\">10.1021/nn502836e</a>.","apa":"Aradhya, S. V., Nielsen, A., Hybertsen, M. S., &#38; Venkataraman, L. (2014). Quantitative bond energetics in atomic-scale junctions. <i>ACS Nano</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/nn502836e\">https://doi.org/10.1021/nn502836e</a>"},"status":"public","OA_type":"closed access","doi":"10.1021/nn502836e","pmid":1,"article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_status":"published","issue":"7","date_updated":"2025-01-02T14:08:57Z","fulldoi":"https://doi.org/10.1021/nn502836e","publication_identifier":{"issn":["1936-0851"],"eissn":["1936-086X"]},"publisher":"American Chemical Society","scopus_import":"1","title":"Quantitative bond energetics in atomic-scale junctions","quality_controlled":"1","article_type":"original","author":[{"first_name":"Sriharsha V.","last_name":"Aradhya","full_name":"Aradhya, Sriharsha V."},{"first_name":"Aileen","last_name":"Nielsen","full_name":"Nielsen, Aileen"},{"first_name":"Mark S.","full_name":"Hybertsen, Mark S.","last_name":"Hybertsen"},{"full_name":"Venkataraman, Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","first_name":"Latha","orcid":"0000-0002-6957-6089"}],"extern":"1","_id":"17984","page":"7522-7530","date_created":"2024-09-09T11:07:34Z","year":"2014","language":[{"iso":"eng"}],"intvolume":"         8","volume":8,"publication":"ACS Nano","day":"19"},{"pmid":1,"article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2025-01-02T14:11:49Z","fulldoi":"https://doi.org/10.1021/nl5010702","publication_status":"published","issue":"5","month":"04","abstract":[{"text":"We have designed and synthesized five azulene derivatives containing gold-binding groups at different points of connectivity within the azulene core to probe the effects of quantum interference through single-molecule conductance measurements. We compare conducting paths through the 5-membered ring, 7-membered ring, and across the long axis of azulene. We find that changing the points of connectivity in the azulene impacts the optical properties (as determined from UV–vis absorption spectra) and the conductivity. Importantly, we show here that simple models cannot be used to predict quantum interference characteristics of nonalternant hydrocarbons. As an exemplary case, we show that azulene derivatives that are predicted to exhibit destructive interference based on widely accepted atom-counting models show a significant conductance at low biases. Although simple models to predict the low-bias conductance do not hold with all azulene derivatives, we demonstrate that the measured conductance trend for all molecules studied actually agrees with predictions based on the more complete GW calculations for model systems.","lang":"eng"}],"oa_version":"Preprint","external_id":{"arxiv":["1411.5463"],"pmid":["24745894"]},"type":"journal_article","date_published":"2014-04-18T00:00:00Z","citation":{"apa":"Xia, J., Capozzi, B., Wei, S., Strange, M., Batra, A., Moreno, J. R., … Campos, L. M. (2014). Breakdown of interference rules in azulene, a nonalternant hydrocarbon. <i>Nano Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/nl5010702\">https://doi.org/10.1021/nl5010702</a>","mla":"Xia, Jianlong, et al. “Breakdown of Interference Rules in Azulene, a Nonalternant Hydrocarbon.” <i>Nano Letters</i>, vol. 14, no. 5, American Chemical Society, 2014, pp. 2941–45, doi:<a href=\"https://doi.org/10.1021/nl5010702\">10.1021/nl5010702</a>.","ieee":"J. Xia <i>et al.</i>, “Breakdown of interference rules in azulene, a nonalternant hydrocarbon,” <i>Nano Letters</i>, vol. 14, no. 5. American Chemical Society, pp. 2941–2945, 2014.","short":"J. Xia, B. Capozzi, S. Wei, M. Strange, A. Batra, J.R. Moreno, R.J. Amir, E. Amir, G.C. Solomon, L. Venkataraman, L.M. Campos, Nano Letters 14 (2014) 2941–2945.","ista":"Xia J, Capozzi B, Wei S, Strange M, Batra A, Moreno JR, Amir RJ, Amir E, Solomon GC, Venkataraman L, Campos LM. 2014. Breakdown of interference rules in azulene, a nonalternant hydrocarbon. Nano Letters. 14(5), 2941–2945.","ama":"Xia J, Capozzi B, Wei S, et al. Breakdown of interference rules in azulene, a nonalternant hydrocarbon. <i>Nano Letters</i>. 2014;14(5):2941-2945. doi:<a href=\"https://doi.org/10.1021/nl5010702\">10.1021/nl5010702</a>","chicago":"Xia, Jianlong, Brian Capozzi, Sujun Wei, Mikkel Strange, Arunabh Batra, Jose R. Moreno, Roey J. Amir, et al. “Breakdown of Interference Rules in Azulene, a Nonalternant Hydrocarbon.” <i>Nano Letters</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/nl5010702\">https://doi.org/10.1021/nl5010702</a>."},"main_file_link":[{"url":"https://arxiv.org/abs/1411.5463","open_access":"1"}],"status":"public","OA_type":"green","doi":"10.1021/nl5010702","year":"2014","language":[{"iso":"eng"}],"OA_place":"repository","oa":1,"intvolume":"        14","volume":14,"publication":"Nano Letters","day":"18","arxiv":1,"publisher":"American Chemical Society","publication_identifier":{"issn":["1530-6984"],"eissn":["1530-6992"]},"scopus_import":"1","quality_controlled":"1","title":"Breakdown of interference rules in azulene, a nonalternant hydrocarbon","author":[{"full_name":"Xia, Jianlong","last_name":"Xia","first_name":"Jianlong"},{"full_name":"Capozzi, Brian","last_name":"Capozzi","first_name":"Brian"},{"first_name":"Sujun","last_name":"Wei","full_name":"Wei, Sujun"},{"first_name":"Mikkel","last_name":"Strange","full_name":"Strange, Mikkel"},{"first_name":"Arunabh","full_name":"Batra, Arunabh","last_name":"Batra"},{"first_name":"Jose R.","last_name":"Moreno","full_name":"Moreno, Jose R."},{"full_name":"Amir, Roey J.","last_name":"Amir","first_name":"Roey J."},{"first_name":"Elizabeth","last_name":"Amir","full_name":"Amir, Elizabeth"},{"first_name":"Gemma C.","last_name":"Solomon","full_name":"Solomon, Gemma C."},{"last_name":"Venkataraman","full_name":"Venkataraman, Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","first_name":"Latha","orcid":"0000-0002-6957-6089"},{"first_name":"Luis M.","last_name":"Campos","full_name":"Campos, Luis M."}],"article_type":"letter_note","date_created":"2024-09-09T11:09:56Z","_id":"17985","page":"2941-2945","extern":"1"},{"status":"public","doi":"10.1039/c4sc00064a","OA_type":"closed access","date_published":"2014-02-12T00:00:00Z","citation":{"ieee":"R. S. Klausen <i>et al.</i>, “Evaluating atomic components in fluorene wires,” <i>Chemical Science</i>, vol. 5, no. 4. Royal Society of Chemistry, 2014.","short":"R.S. Klausen, J.R. Widawsky, T.A. Su, H. Li, Q. Chen, M.L. Steigerwald, L. Venkataraman, C. Nuckolls, Chemical Science 5 (2014).","chicago":"Klausen, R. S., J. R. Widawsky, T. A. Su, H. Li, Q. Chen, M. L. Steigerwald, Latha Venkataraman, and C. Nuckolls. “Evaluating Atomic Components in Fluorene Wires.” <i>Chemical Science</i>. Royal Society of Chemistry, 2014. <a href=\"https://doi.org/10.1039/c4sc00064a\">https://doi.org/10.1039/c4sc00064a</a>.","ama":"Klausen RS, Widawsky JR, Su TA, et al. Evaluating atomic components in fluorene wires. <i>Chemical Science</i>. 2014;5(4). doi:<a href=\"https://doi.org/10.1039/c4sc00064a\">10.1039/c4sc00064a</a>","ista":"Klausen RS, Widawsky JR, Su TA, Li H, Chen Q, Steigerwald ML, Venkataraman L, Nuckolls C. 2014. Evaluating atomic components in fluorene wires. Chemical Science. 5(4), 1561.","apa":"Klausen, R. S., Widawsky, J. R., Su, T. A., Li, H., Chen, Q., Steigerwald, M. L., … Nuckolls, C. (2014). Evaluating atomic components in fluorene wires. <i>Chemical Science</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/c4sc00064a\">https://doi.org/10.1039/c4sc00064a</a>","mla":"Klausen, R. S., et al. “Evaluating Atomic Components in Fluorene Wires.” <i>Chemical Science</i>, vol. 5, no. 4, 1561, Royal Society of Chemistry, 2014, doi:<a href=\"https://doi.org/10.1039/c4sc00064a\">10.1039/c4sc00064a</a>."},"oa_version":"None","type":"journal_article","month":"02","abstract":[{"text":"Molecular electronics demands complex functional molecules with multiple pathways connecting electrode leads. We report the synthesis and study of a set of molecules based on a fluorene-like design in which atomic connectors are used to introduce two pathways for conductance. This manuscript details the structural demands and underlying rationale for developing high conductance in these complex molecular circuit components.","lang":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2025-01-02T14:13:40Z","fulldoi":"https://doi.org/10.1039/c4sc00064a","publication_status":"published","issue":"4","article_processing_charge":"No","article_number":"1561","_id":"17986","date_created":"2024-09-09T11:22:09Z","extern":"1","quality_controlled":"1","title":"Evaluating atomic components in fluorene wires","article_type":"original","author":[{"full_name":"Klausen, R. S.","last_name":"Klausen","first_name":"R. S."},{"last_name":"Widawsky","full_name":"Widawsky, J. R.","first_name":"J. R."},{"full_name":"Su, T. A.","last_name":"Su","first_name":"T. A."},{"last_name":"Li","full_name":"Li, H.","first_name":"H."},{"last_name":"Chen","full_name":"Chen, Q.","first_name":"Q."},{"first_name":"M. L.","last_name":"Steigerwald","full_name":"Steigerwald, M. L."},{"orcid":"0000-0002-6957-6089","first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","full_name":"Venkataraman, Latha","last_name":"Venkataraman"},{"last_name":"Nuckolls","full_name":"Nuckolls, C.","first_name":"C."}],"publisher":"Royal Society of Chemistry","publication_identifier":{"eissn":["2041-6539"],"issn":["2041-6520"]},"scopus_import":"1","day":"12","publication":"Chemical Science","volume":5,"intvolume":"         5","year":"2014","language":[{"iso":"eng"}]},{"pmid":1,"article_processing_charge":"No","date_updated":"2025-01-02T14:15:49Z","fulldoi":"https://doi.org/10.1021/nl404459q","issue":"3","publication_status":"published","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","abstract":[{"text":"We modulate the conductance of electrochemically inactive molecules in single-molecule junctions using an electrolytic gate to controllably tune the energy level alignment of the system. Molecular junctions that conduct through their highest occupied molecular orbital show a decrease in conductance when applying a positive electrochemical potential, and those that conduct though their lowest unoccupied molecular orbital show the opposite trend. We fit the experimentally measured conductance data as a function of gate voltage with a Lorentzian function and find the fitting parameters to be in quantitative agreement with self-energy corrected density functional theory calculations of transmission probability across single-molecule junctions. This work shows that electrochemical gating can directly modulate the alignment of the conducting orbital relative to the metal Fermi energy, thereby changing the junction transport properties.","lang":"eng"}],"month":"02","external_id":{"pmid":["24490721"]},"type":"journal_article","oa_version":"None","citation":{"ieee":"B. Capozzi <i>et al.</i>, “Tunable charge transport in single-molecule junctions via electrolytic gating,” <i>Nano Letters</i>, vol. 14, no. 3. American Chemical Society, pp. 1400–1404, 2014.","short":"B. Capozzi, Q. Chen, P. Darancet, M. Kotiuga, M. Buzzeo, J.B. Neaton, C. Nuckolls, L. Venkataraman, Nano Letters 14 (2014) 1400–1404.","ama":"Capozzi B, Chen Q, Darancet P, et al. Tunable charge transport in single-molecule junctions via electrolytic gating. <i>Nano Letters</i>. 2014;14(3):1400-1404. doi:<a href=\"https://doi.org/10.1021/nl404459q\">10.1021/nl404459q</a>","chicago":"Capozzi, Brian, Qishui Chen, Pierre Darancet, Michele Kotiuga, Marisa Buzzeo, Jeffrey B. Neaton, Colin Nuckolls, and Latha Venkataraman. “Tunable Charge Transport in Single-Molecule Junctions via Electrolytic Gating.” <i>Nano Letters</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/nl404459q\">https://doi.org/10.1021/nl404459q</a>.","ista":"Capozzi B, Chen Q, Darancet P, Kotiuga M, Buzzeo M, Neaton JB, Nuckolls C, Venkataraman L. 2014. Tunable charge transport in single-molecule junctions via electrolytic gating. Nano Letters. 14(3), 1400–1404.","mla":"Capozzi, Brian, et al. “Tunable Charge Transport in Single-Molecule Junctions via Electrolytic Gating.” <i>Nano Letters</i>, vol. 14, no. 3, American Chemical Society, 2014, pp. 1400–04, doi:<a href=\"https://doi.org/10.1021/nl404459q\">10.1021/nl404459q</a>.","apa":"Capozzi, B., Chen, Q., Darancet, P., Kotiuga, M., Buzzeo, M., Neaton, J. B., … Venkataraman, L. (2014). Tunable charge transport in single-molecule junctions via electrolytic gating. <i>Nano Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/nl404459q\">https://doi.org/10.1021/nl404459q</a>"},"date_published":"2014-02-02T00:00:00Z","OA_type":"closed access","doi":"10.1021/nl404459q","status":"public","language":[{"iso":"eng"}],"year":"2014","intvolume":"        14","volume":14,"publication":"Nano Letters","day":"02","scopus_import":"1","publisher":"American Chemical Society","publication_identifier":{"eissn":["1530-6992"],"issn":["1530-6984"]},"article_type":"letter_note","author":[{"first_name":"Brian","last_name":"Capozzi","full_name":"Capozzi, Brian"},{"first_name":"Qishui","full_name":"Chen, Qishui","last_name":"Chen"},{"first_name":"Pierre","last_name":"Darancet","full_name":"Darancet, Pierre"},{"first_name":"Michele","last_name":"Kotiuga","full_name":"Kotiuga, Michele"},{"full_name":"Buzzeo, Marisa","last_name":"Buzzeo","first_name":"Marisa"},{"first_name":"Jeffrey B.","last_name":"Neaton","full_name":"Neaton, Jeffrey B."},{"last_name":"Nuckolls","full_name":"Nuckolls, Colin","first_name":"Colin"},{"orcid":"0000-0002-6957-6089","first_name":"Latha","last_name":"Venkataraman","full_name":"Venkataraman, Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}],"quality_controlled":"1","title":"Tunable charge transport in single-molecule junctions via electrolytic gating","page":"1400-1404","_id":"17987","date_created":"2024-09-09T11:24:14Z","extern":"1"},{"article_processing_charge":"No","pmid":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_status":"published","issue":"2","date_updated":"2025-01-03T07:44:13Z","fulldoi":"https://doi.org/10.1021/nl404143v","oa_version":"None","external_id":{"pmid":["24446585"]},"type":"journal_article","month":"01","abstract":[{"text":"We measure conductance and thermopower of single Au–4,4′-bipyridine–Au junctions in distinct low and high conductance binding geometries accessed by modulating the electrode separation. We use these data to determine the electronic energy level alignment and coupling strength for these junctions, which are known to conduct through the lowest unoccupied molecular orbital (LUMO). Contrary to intuition, we find that, in the high-conductance junction, the LUMO resonance energy is further away from the Au Fermi energy than in the low-conductance junction. However, the LUMO of the high-conducting junction is better coupled to the electrode. These results are in good quantitative agreement with self-energy corrected zero-bias density functional theory calculations. Our calculations show further that measurements of conductance and thermopower in amine-terminated oligophenyl–Au junctions, where conduction occurs through the highest occupied molecular orbitals, cannot be used to extract electronic parameters as their transmission functions do not follow a simple Lorentzian form.","lang":"eng"}],"status":"public","doi":"10.1021/nl404143v","OA_type":"closed access","date_published":"2014-01-21T00:00:00Z","citation":{"mla":"Kim, Taekyeong, et al. “Determination of Energy Level Alignment and Coupling Strength in 4,4′-Bipyridine Single-Molecule Junctions.” <i>Nano Letters</i>, vol. 14, no. 2, American Chemical Society, 2014, pp. 794–98, doi:<a href=\"https://doi.org/10.1021/nl404143v\">10.1021/nl404143v</a>.","apa":"Kim, T., Darancet, P., Widawsky, J. R., Kotiuga, M., Quek, S. Y., Neaton, J. B., &#38; Venkataraman, L. (2014). Determination of energy level alignment and coupling strength in 4,4′-bipyridine single-molecule junctions. <i>Nano Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/nl404143v\">https://doi.org/10.1021/nl404143v</a>","ieee":"T. Kim <i>et al.</i>, “Determination of energy level alignment and coupling strength in 4,4′-bipyridine single-molecule junctions,” <i>Nano Letters</i>, vol. 14, no. 2. American Chemical Society, pp. 794–798, 2014.","short":"T. Kim, P. Darancet, J.R. Widawsky, M. Kotiuga, S.Y. Quek, J.B. Neaton, L. Venkataraman, Nano Letters 14 (2014) 794–798.","ama":"Kim T, Darancet P, Widawsky JR, et al. Determination of energy level alignment and coupling strength in 4,4′-bipyridine single-molecule junctions. <i>Nano Letters</i>. 2014;14(2):794-798. doi:<a href=\"https://doi.org/10.1021/nl404143v\">10.1021/nl404143v</a>","ista":"Kim T, Darancet P, Widawsky JR, Kotiuga M, Quek SY, Neaton JB, Venkataraman L. 2014. Determination of energy level alignment and coupling strength in 4,4′-bipyridine single-molecule junctions. Nano Letters. 14(2), 794–798.","chicago":"Kim, Taekyeong, Pierre Darancet, Jonathan R. Widawsky, Michele Kotiuga, Su Ying Quek, Jeffrey B. Neaton, and Latha Venkataraman. “Determination of Energy Level Alignment and Coupling Strength in 4,4′-Bipyridine Single-Molecule Junctions.” <i>Nano Letters</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/nl404143v\">https://doi.org/10.1021/nl404143v</a>."},"intvolume":"        14","year":"2014","language":[{"iso":"eng"}],"day":"21","volume":14,"publication":"Nano Letters","title":"Determination of energy level alignment and coupling strength in 4,4′-bipyridine single-molecule junctions","quality_controlled":"1","author":[{"first_name":"Taekyeong","full_name":"Kim, Taekyeong","last_name":"Kim"},{"full_name":"Darancet, Pierre","last_name":"Darancet","first_name":"Pierre"},{"full_name":"Widawsky, Jonathan R.","last_name":"Widawsky","first_name":"Jonathan R."},{"full_name":"Kotiuga, Michele","last_name":"Kotiuga","first_name":"Michele"},{"last_name":"Quek","full_name":"Quek, Su Ying","first_name":"Su Ying"},{"full_name":"Neaton, Jeffrey B.","last_name":"Neaton","first_name":"Jeffrey B."},{"first_name":"Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","full_name":"Venkataraman, Latha"}],"article_type":"letter_note","publication_identifier":{"issn":["1530-6984"],"eissn":["1530-6992"]},"publisher":"American Chemical Society","scopus_import":"1","extern":"1","page":"794-798","_id":"17988","date_created":"2024-09-09T11:24:55Z"},{"fulldoi":"https://doi.org/10.1021/ja411143s","date_updated":"2025-01-03T07:46:41Z","publication_status":"published","issue":"3","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"article_processing_charge":"No","citation":{"ama":"Chen W, Li H, Widawsky JR, Appayee C, Venkataraman L, Breslow R. Aromaticity decreases single-molecule junction sonductance. <i>Journal of the American Chemical Society</i>. 2014;136(3):918-920. doi:<a href=\"https://doi.org/10.1021/ja411143s\">10.1021/ja411143s</a>","ista":"Chen W, Li H, Widawsky JR, Appayee C, Venkataraman L, Breslow R. 2014. Aromaticity decreases single-molecule junction sonductance. Journal of the American Chemical Society. 136(3), 918–920.","chicago":"Chen, Wenbo, Haixing Li, Jonathan R. Widawsky, Chandrakumar Appayee, Latha Venkataraman, and Ronald Breslow. “Aromaticity Decreases Single-Molecule Junction Sonductance.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2014. <a href=\"https://doi.org/10.1021/ja411143s\">https://doi.org/10.1021/ja411143s</a>.","ieee":"W. Chen, H. Li, J. R. Widawsky, C. Appayee, L. Venkataraman, and R. Breslow, “Aromaticity decreases single-molecule junction sonductance,” <i>Journal of the American Chemical Society</i>, vol. 136, no. 3. American Chemical Society, pp. 918–920, 2014.","short":"W. Chen, H. Li, J.R. Widawsky, C. Appayee, L. Venkataraman, R. Breslow, Journal of the American Chemical Society 136 (2014) 918–920.","mla":"Chen, Wenbo, et al. “Aromaticity Decreases Single-Molecule Junction Sonductance.” <i>Journal of the American Chemical Society</i>, vol. 136, no. 3, American Chemical Society, 2014, pp. 918–20, doi:<a href=\"https://doi.org/10.1021/ja411143s\">10.1021/ja411143s</a>.","apa":"Chen, W., Li, H., Widawsky, J. R., Appayee, C., Venkataraman, L., &#38; Breslow, R. (2014). Aromaticity decreases single-molecule junction sonductance. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja411143s\">https://doi.org/10.1021/ja411143s</a>"},"date_published":"2014-01-07T00:00:00Z","OA_type":"closed access","doi":"10.1021/ja411143s","status":"public","abstract":[{"lang":"eng","text":"We have measured the conductance of single-molecule junctions created with three different molecular wires using the scanning tunneling microscope-based break-junction technique. Each wire contains one of three different cyclic five-membered rings: cyclopentadiene, furan, or thiophene. We find that the single-molecule conductance of these three wires correlates negatively with the resonance energy of the five-membered ring; the nonaromatic cyclopentadiene derivative has the highest conductance, while the most aromatic of this series, thiophene, has the lowest. Furthermore, we show for another wire structure that the conductance of furan-based wires is consistently higher than for analogous thiophene systems, indicating that the negative correlation between conductance and aromaticity is robust. The best conductance would be for a quinoid structure that diminishes aromaticity. The energy penalty for partly adopting the quinoid structure is less with compounds having lower initial aromatic stabilization. An additional effect may reflect the lower HOMOs of aromatic compounds."}],"month":"01","type":"journal_article","external_id":{"pmid":["24397414"]},"oa_version":"None","publication":"Journal of the American Chemical Society","volume":136,"day":"07","language":[{"iso":"eng"}],"year":"2014","intvolume":"       136","page":"918-920","_id":"17989","date_created":"2024-09-09T11:25:35Z","extern":"1","scopus_import":"1","publisher":"American Chemical Society","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"author":[{"first_name":"Wenbo","full_name":"Chen, Wenbo","last_name":"Chen"},{"first_name":"Haixing","full_name":"Li, Haixing","last_name":"Li"},{"first_name":"Jonathan R.","last_name":"Widawsky","full_name":"Widawsky, Jonathan R."},{"last_name":"Appayee","full_name":"Appayee, Chandrakumar","first_name":"Chandrakumar"},{"first_name":"Latha","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"},{"first_name":"Ronald","full_name":"Breslow, Ronald","last_name":"Breslow"}],"article_type":"letter_note","quality_controlled":"1","title":"Aromaticity decreases single-molecule junction sonductance"},{"article_processing_charge":"No","pmid":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2025-01-03T07:49:30Z","fulldoi":"https://doi.org/10.1073/pnas.1406926111","issue":"30","publication_status":"published","oa_version":"None","type":"journal_article","external_id":{"pmid":["25024198"]},"month":"07","abstract":[{"text":"Molecular junctions formed using the scanning-tunneling-microscope–based break-junction technique (STM-BJ) have provided unique insight into charge transport at the nanoscale. In most prior work, the same metal, typically Au, Pt, or Ag, is used for both tip and substrate. For such noble metal electrodes, the density of electronic states is approximately constant within a narrow energy window relevant to charge transport. Here, we form molecular junctions using the STM-BJ technique, with an Au metal tip and a microfabricated graphite substrate, and measure the conductance of a series of graphite/amine-terminated oligophenyl/Au molecular junctions. The remarkable mechanical strength of graphite and the single-crystal properties of our substrates allow measurements over few thousand junctions without any change in the surface properties. We show that conductance decays exponentially with molecular backbone length with a decay constant that is essentially the same as that for measurements with two Au electrodes. More importantly, despite the inherent symmetry of the oligophenylamines, we observe rectification in these junctions. State-of-art ab initio conductance calculations are in good agreement with experiment, and explain the rectification. We show that the highly energy-dependent graphite density of states contributes variations in transmission that, when coupled with an asymmetric voltage drop across the junction, leads to the observed rectification. Together, our measurements and calculations show how functionality may emerge from hybrid molecular-scale devices purposefully designed with different electrodes beyond the so-called “wide band limit,” opening up the possibility of assembling molecular junctions with dissimilar electrodes using layered 2D materials.","lang":"eng"}],"status":"public","OA_type":"closed access","doi":"10.1073/pnas.1406926111","date_published":"2014-07-14T00:00:00Z","citation":{"mla":"Kim, Taekyeong, et al. “Charge Transport and Rectification in Molecular Junctions Formed with Carbon-Based Electrodes.” <i>Proceedings of the National Academy of Sciences</i>, vol. 111, no. 30, National Academy of Sciences, 2014, pp. 10928–32, doi:<a href=\"https://doi.org/10.1073/pnas.1406926111\">10.1073/pnas.1406926111</a>.","apa":"Kim, T., Liu, Z.-F., Lee, C., Neaton, J. B., &#38; Venkataraman, L. (2014). Charge transport and rectification in molecular junctions formed with carbon-based electrodes. <i>Proceedings of the National Academy of Sciences</i>. National Academy of Sciences. <a href=\"https://doi.org/10.1073/pnas.1406926111\">https://doi.org/10.1073/pnas.1406926111</a>","ieee":"T. Kim, Z.-F. Liu, C. Lee, J. B. Neaton, and L. Venkataraman, “Charge transport and rectification in molecular junctions formed with carbon-based electrodes,” <i>Proceedings of the National Academy of Sciences</i>, vol. 111, no. 30. National Academy of Sciences, pp. 10928–10932, 2014.","short":"T. Kim, Z.-F. Liu, C. Lee, J.B. Neaton, L. Venkataraman, Proceedings of the National Academy of Sciences 111 (2014) 10928–10932.","ista":"Kim T, Liu Z-F, Lee C, Neaton JB, Venkataraman L. 2014. Charge transport and rectification in molecular junctions formed with carbon-based electrodes. Proceedings of the National Academy of Sciences. 111(30), 10928–10932.","chicago":"Kim, Taekyeong, Zhen-Fei Liu, Chulho Lee, Jeffrey B. Neaton, and Latha Venkataraman. “Charge Transport and Rectification in Molecular Junctions Formed with Carbon-Based Electrodes.” <i>Proceedings of the National Academy of Sciences</i>. National Academy of Sciences, 2014. <a href=\"https://doi.org/10.1073/pnas.1406926111\">https://doi.org/10.1073/pnas.1406926111</a>.","ama":"Kim T, Liu Z-F, Lee C, Neaton JB, Venkataraman L. Charge transport and rectification in molecular junctions formed with carbon-based electrodes. <i>Proceedings of the National Academy of Sciences</i>. 2014;111(30):10928-10932. doi:<a href=\"https://doi.org/10.1073/pnas.1406926111\">10.1073/pnas.1406926111</a>"},"intvolume":"       111","year":"2014","language":[{"iso":"eng"}],"day":"14","volume":111,"publication":"Proceedings of the National Academy of Sciences","quality_controlled":"1","title":"Charge transport and rectification in molecular junctions formed with carbon-based electrodes","article_type":"original","author":[{"last_name":"Kim","full_name":"Kim, Taekyeong","first_name":"Taekyeong"},{"first_name":"Zhen-Fei","full_name":"Liu, Zhen-Fei","last_name":"Liu"},{"last_name":"Lee","full_name":"Lee, Chulho","first_name":"Chulho"},{"first_name":"Jeffrey B.","last_name":"Neaton","full_name":"Neaton, Jeffrey B."},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","full_name":"Venkataraman, Latha","first_name":"Latha","orcid":"0000-0002-6957-6089"}],"publisher":"National Academy of Sciences","publication_identifier":{"eissn":["1091-6490"],"issn":["0027-8424"]},"scopus_import":"1","_id":"17990","date_created":"2024-09-09T11:26:38Z","page":"10928-10932","extern":"1"},{"language":[{"iso":"eng"}],"corr_author":"1","year":"2014","department":[{"_id":"JiFr"}],"editor":[{"last_name":"Zažímalová","full_name":"Zažímalová, Eva","first_name":"Eva"},{"first_name":"Jan","last_name":"Petrášek","full_name":"Petrášek, Jan"},{"orcid":"0000-0002-8510-9739","first_name":"Eva","id":"38F4F166-F248-11E8-B48F-1D18A9856A87","full_name":"Benková, Eva","last_name":"Benková"}],"publication":"Auxin and Its Role in Plant Development","fulldoi":"https://doi.org/10.1007/978-3-7091-1526-8_8","date_updated":"2024-10-09T20:55:54Z","publication_status":"published","user_id":"4435EBFC-F248-11E8-B48F-1D18A9856A87","day":"01","scopus_import":1,"abstract":[{"text":"The generation of asymmetry, at both cellular and tissue level, is one of the most essential capabilities of all eukaryotic organisms. It mediates basically all multicellular development ranging from embryogenesis and de novo organ formation till responses to various environmental stimuli. In plants, the awe-inspiring number of such processes is regulated by phytohormone auxin and its directional, cell-to-cell transport. The mediators of this transport, PIN auxin transporters, are asymmetrically localized at the plasma membrane, and this polar localization determines the directionality of intercellular auxin flow. Thus, auxin transport contributes crucially to the generation of local auxin gradients or maxima, which instruct given cell to change its developmental program. Here, we introduce and discuss the molecular components and cellular mechanisms regulating the generation and maintenance of cellular PIN polarity, as the general hallmarks of cell polarity in plants.","lang":"eng"}],"publisher":"Springer","month":"04","author":[{"full_name":"Baster, Pawel","id":"3028BD74-F248-11E8-B48F-1D18A9856A87","last_name":"Baster","first_name":"Pawel"},{"full_name":"Friml, Jiří","last_name":"Friml","id":"4159519E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-8302-7596","first_name":"Jiří"}],"type":"book_chapter","publist_id":"5304","quality_controlled":"1","title":"Auxin on the road navigated by cellular PIN polarity","oa_version":"None","date_created":"2018-12-11T11:54:07Z","_id":"1806","page":"143 - 170","citation":{"mla":"Baster, Pawel, and Jiří Friml. “Auxin on the Road Navigated by Cellular PIN Polarity.” <i>Auxin and Its Role in Plant Development</i>, edited by Eva Zažímalová et al., Springer, 2014, pp. 143–70, doi:<a href=\"https://doi.org/10.1007/978-3-7091-1526-8_8\">10.1007/978-3-7091-1526-8_8</a>.","apa":"Baster, P., &#38; Friml, J. (2014). Auxin on the road navigated by cellular PIN polarity. In E. Zažímalová, J. Petrášek, &#38; E. Benková (Eds.), <i>Auxin and Its Role in Plant Development</i> (pp. 143–170). Springer. <a href=\"https://doi.org/10.1007/978-3-7091-1526-8_8\">https://doi.org/10.1007/978-3-7091-1526-8_8</a>","chicago":"Baster, Pawel, and Jiří Friml. “Auxin on the Road Navigated by Cellular PIN Polarity.” In <i>Auxin and Its Role in Plant Development</i>, edited by Eva Zažímalová, Jan Petrášek, and Eva Benková, 143–70. Springer, 2014. <a href=\"https://doi.org/10.1007/978-3-7091-1526-8_8\">https://doi.org/10.1007/978-3-7091-1526-8_8</a>.","ista":"Baster P, Friml J. 2014.Auxin on the road navigated by cellular PIN polarity. In: Auxin and Its Role in Plant Development. , 143–170.","ama":"Baster P, Friml J. Auxin on the road navigated by cellular PIN polarity. In: Zažímalová E, Petrášek J, Benková E, eds. <i>Auxin and Its Role in Plant Development</i>. Springer; 2014:143-170. doi:<a href=\"https://doi.org/10.1007/978-3-7091-1526-8_8\">10.1007/978-3-7091-1526-8_8</a>","short":"P. Baster, J. Friml, in:, E. Zažímalová, J. Petrášek, E. Benková (Eds.), Auxin and Its Role in Plant Development, Springer, 2014, pp. 143–170.","ieee":"P. Baster and J. Friml, “Auxin on the road navigated by cellular PIN polarity,” in <i>Auxin and Its Role in Plant Development</i>, E. Zažímalová, J. Petrášek, and E. Benková, Eds. Springer, 2014, pp. 143–170."},"date_published":"2014-04-01T00:00:00Z","doi":"10.1007/978-3-7091-1526-8_8","status":"public"},{"citation":{"mla":"Huber, Stefan, et al. “Topology-Preserving Watermarking of Vector Graphics.” <i>International Journal of Computational Geometry and Applications</i>, vol. 24, no. 1, World Scientific Publishing, 2014, pp. 61–86, doi:<a href=\"https://doi.org/10.1142/S0218195914500034\">10.1142/S0218195914500034</a>.","apa":"Huber, S., Held, M., Meerwald, P., &#38; Kwitt, R. (2014). Topology-preserving watermarking of vector graphics. <i>International Journal of Computational Geometry and Applications</i>. World Scientific Publishing. <a href=\"https://doi.org/10.1142/S0218195914500034\">https://doi.org/10.1142/S0218195914500034</a>","ista":"Huber S, Held M, Meerwald P, Kwitt R. 2014. Topology-preserving watermarking of vector graphics. International Journal of Computational Geometry and Applications. 24(1), 61–86.","ama":"Huber S, Held M, Meerwald P, Kwitt R. Topology-preserving watermarking of vector graphics. <i>International Journal of Computational Geometry and Applications</i>. 2014;24(1):61-86. doi:<a href=\"https://doi.org/10.1142/S0218195914500034\">10.1142/S0218195914500034</a>","chicago":"Huber, Stefan, Martin Held, Peter Meerwald, and Roland Kwitt. “Topology-Preserving Watermarking of Vector Graphics.” <i>International Journal of Computational Geometry and Applications</i>. World Scientific Publishing, 2014. <a href=\"https://doi.org/10.1142/S0218195914500034\">https://doi.org/10.1142/S0218195914500034</a>.","short":"S. Huber, M. Held, P. Meerwald, R. Kwitt, International Journal of Computational Geometry and Applications 24 (2014) 61–86.","ieee":"S. Huber, M. Held, P. Meerwald, and R. Kwitt, “Topology-preserving watermarking of vector graphics,” <i>International Journal of Computational Geometry and Applications</i>, vol. 24, no. 1. World Scientific Publishing, pp. 61–86, 2014."},"ddc":["000"],"tmp":{"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)","image":"/images/cc_by.png"},"date_published":"2014-03-16T00:00:00Z","doi":"10.1142/S0218195914500034","status":"public","abstract":[{"text":"Watermarking techniques for vector graphics dislocate vertices in order to embed imperceptible, yet detectable, statistical features into the input data. The embedding process may result in a change of the topology of the input data, e.g., by introducing self-intersections, which is undesirable or even disastrous for many applications. In this paper we present a watermarking framework for two-dimensional vector graphics that employs conventional watermarking techniques but still provides the guarantee that the topology of the input data is preserved. The geometric part of this framework computes so-called maximum perturbation regions (MPR) of vertices. We propose two efficient algorithms to compute MPRs based on Voronoi diagrams and constrained triangulations. Furthermore, we present two algorithms to conditionally correct the watermarked data in order to increase the watermark embedding capacity and still guarantee topological correctness. While we focus on the watermarking of input formed by straight-line segments, one of our approaches can also be extended to circular arcs. We conclude the paper by demonstrating and analyzing the applicability of our framework in conjunction with two well-known watermarking techniques.","lang":"eng"}],"month":"03","type":"journal_article","publist_id":"5290","oa_version":"Published Version","fulldoi":"https://doi.org/10.1142/S0218195914500034","date_updated":"2024-10-09T20:55:54Z","pubrep_id":"443","issue":"1","publication_status":"published","user_id":"3E5EF7F0-F248-11E8-B48F-1D18A9856A87","license":"https://creativecommons.org/licenses/by/4.0/","department":[{"_id":"HeEd"}],"has_accepted_license":"1","date_created":"2018-12-11T11:54:10Z","_id":"1816","page":"61 - 86","file_date_updated":"2020-07-14T12:45:17Z","scopus_import":1,"file":[{"file_size":991734,"file_name":"IST-2016-443-v1+1_S0218195914500034.pdf","date_created":"2018-12-12T10:08:43Z","date_updated":"2020-07-14T12:45:17Z","content_type":"application/pdf","relation":"main_file","creator":"system","access_level":"open_access","file_id":"4704","checksum":"be45c133ab4d43351260e21beaa8f4b1"}],"publisher":"World Scientific Publishing","author":[{"orcid":"0000-0002-8871-5814","first_name":"Stefan","full_name":"Huber, Stefan","last_name":"Huber","id":"4700A070-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Martin","full_name":"Held, Martin","last_name":"Held"},{"full_name":"Meerwald, Peter","last_name":"Meerwald","first_name":"Peter"},{"full_name":"Kwitt, Roland","last_name":"Kwitt","first_name":"Roland"}],"quality_controlled":"1","title":"Topology-preserving watermarking of vector graphics","volume":24,"publication":"International Journal of Computational Geometry and Applications","day":"16","acknowledgement":"Work by Martin Held and Stefan Huber was supported by Austrian Science Fund (FWF): L367-N15 and P25816-N15.","language":[{"iso":"eng"}],"corr_author":"1","year":"2014","intvolume":"        24","oa":1},{"author":[{"last_name":"Leonard","id":"b75b3f45-7995-11ef-9bfd-9a9cd02c3577","full_name":"Leonard, Julian","first_name":"Julian"},{"full_name":"Lee, Moonjoo","last_name":"Lee","first_name":"Moonjoo"},{"full_name":"Morales, Andrea","last_name":"Morales","first_name":"Andrea"},{"first_name":"Thomas M","last_name":"Karg","full_name":"Karg, Thomas M"},{"first_name":"Tilman","full_name":"Esslinger, Tilman","last_name":"Esslinger"},{"first_name":"Tobias","last_name":"Donner","full_name":"Donner, Tobias"}],"article_type":"original","quality_controlled":"1","title":"Optical transport and manipulation of an ultracold atomic cloud using focus-tunable lenses","scopus_import":"1","publisher":"IOP Publishing","publication_identifier":{"issn":["1367-2630"]},"_id":"18200","date_created":"2024-10-07T11:50:00Z","extern":"1","intvolume":"        16","oa":1,"language":[{"iso":"eng"}],"year":"2014","day":"23","volume":16,"publication":"New Journal of Physics","type":"journal_article","oa_version":"Published Version","abstract":[{"text":"We present an optical setup with focus-tunable lenses to dynamically control the waist and focus position of a laser beam, in which we transport a trapped ultracold cloud of 87Rb over a distance of \r\n. The scheme allows us to shift the focus position at constant waist, providing uniform trapping conditions over the full transport length. The fraction of atoms that are transported over the entire distance comes near to unity, while the heating of the cloud is in the range of a few microkelvin. We characterize the position stability of the focus and show that residual drift rates in focus position can be compensated for by counteracting with the tunable lenses. Beyond being a compact and robust scheme to transport ultracold atoms, the reported control of laser beams makes dynamic tailoring of trapping potentials possible. As an example, we steer the size of the atomic cloud by changing the waist size of the dipole beam.","lang":"eng"}],"month":"09","doi":"10.1088/1367-2630/16/9/093028","main_file_link":[{"url":"https://doi.org/10.1088/1367-2630/16/9/093028","open_access":"1"}],"status":"public","citation":{"ista":"Leonard J, Lee M, Morales A, Karg TM, Esslinger T, Donner T. 2014. Optical transport and manipulation of an ultracold atomic cloud using focus-tunable lenses. New Journal of Physics. 16(9), 093028.","chicago":"Leonard, Julian, Moonjoo Lee, Andrea Morales, Thomas M Karg, Tilman Esslinger, and Tobias Donner. “Optical Transport and Manipulation of an Ultracold Atomic Cloud Using Focus-Tunable Lenses.” <i>New Journal of Physics</i>. IOP Publishing, 2014. <a href=\"https://doi.org/10.1088/1367-2630/16/9/093028\">https://doi.org/10.1088/1367-2630/16/9/093028</a>.","ama":"Leonard J, Lee M, Morales A, Karg TM, Esslinger T, Donner T. Optical transport and manipulation of an ultracold atomic cloud using focus-tunable lenses. <i>New Journal of Physics</i>. 2014;16(9). doi:<a href=\"https://doi.org/10.1088/1367-2630/16/9/093028\">10.1088/1367-2630/16/9/093028</a>","ieee":"J. Leonard, M. Lee, A. Morales, T. M. Karg, T. Esslinger, and T. Donner, “Optical transport and manipulation of an ultracold atomic cloud using focus-tunable lenses,” <i>New Journal of Physics</i>, vol. 16, no. 9. IOP Publishing, 2014.","short":"J. Leonard, M. Lee, A. Morales, T.M. Karg, T. Esslinger, T. Donner, New Journal of Physics 16 (2014).","apa":"Leonard, J., Lee, M., Morales, A., Karg, T. M., Esslinger, T., &#38; Donner, T. (2014). Optical transport and manipulation of an ultracold atomic cloud using focus-tunable lenses. <i>New Journal of Physics</i>. IOP Publishing. <a href=\"https://doi.org/10.1088/1367-2630/16/9/093028\">https://doi.org/10.1088/1367-2630/16/9/093028</a>","mla":"Leonard, Julian, et al. “Optical Transport and Manipulation of an Ultracold Atomic Cloud Using Focus-Tunable Lenses.” <i>New Journal of Physics</i>, vol. 16, no. 9, 093028, IOP Publishing, 2014, doi:<a href=\"https://doi.org/10.1088/1367-2630/16/9/093028\">10.1088/1367-2630/16/9/093028</a>."},"date_published":"2014-09-23T00:00:00Z","article_processing_charge":"Yes","article_number":"093028","fulldoi":"https://doi.org/10.1088/1367-2630/16/9/093028","date_updated":"2024-10-07T12:07:48Z","publication_status":"published","issue":"9","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87"},{"quality_controlled":"1","title":"Movement templates for learning of hitting and batting","author":[{"last_name":"Muelling","full_name":"Muelling, Katharina","first_name":"Katharina"},{"first_name":"Oliver","last_name":"Kroemer","full_name":"Kroemer, Oliver"},{"id":"40C20FD2-F248-11E8-B48F-1D18A9856A87","last_name":"Lampert","full_name":"Lampert, Christoph","orcid":"0000-0001-8622-7887","first_name":"Christoph"},{"first_name":"Bernhard","last_name":"Schölkopf","full_name":"Schölkopf, Bernhard"}],"publisher":"Springer","scopus_import":1,"page":"69 - 82","_id":"1829","date_created":"2018-12-11T11:54:14Z","editor":[{"first_name":"Jens","full_name":"Kober, Jens","last_name":"Kober"},{"first_name":"Jan","last_name":"Peters","full_name":"Peters, Jan"}],"intvolume":"        97","year":"2014","language":[{"iso":"eng"}],"series_title":"From Algorithms to Robot Experiments","day":"01","volume":97,"publication":"Learning Motor Skills","publist_id":"5274","oa_version":"None","type":"book_chapter","month":"01","abstract":[{"text":"Hitting and batting tasks, such as tennis forehands, ping-pong strokes, or baseball batting, depend on predictions where the ball can be intercepted and how it can properly be returned to the opponent. These predictions get more accurate over time, hence the behaviors need to be continuously modified. As a result, movement templates with a learned global shape need to be adapted during the execution so that the racket reaches a target position and velocity that will return the ball over to the other side of the net or court. It requires altering learned movements to hit a varying target with the necessary velocity at a specific instant in time. Such a task cannot be incorporated straightforwardly in most movement representations suitable for learning. For example, the standard formulation of the dynamical system based motor primitives (introduced by Ijspeert et al (2002b)) does not satisfy this property despite their flexibility which has allowed learning tasks ranging from locomotion to kendama. In order to fulfill this requirement, we reformulate the Ijspeert framework to incorporate the possibility of specifying a desired hitting point and a desired hitting velocity while maintaining all advantages of the original formulation.We show that the proposed movement template formulation works well in two scenarios, i.e., for hitting a ball on a string with a table tennis racket at a specified velocity and for returning balls launched by a ball gun successfully over the net using forehand movements.","lang":"eng"}],"status":"public","doi":"10.1007/978-3-319-03194-1_3","date_published":"2014-01-01T00:00:00Z","citation":{"apa":"Muelling, K., Kroemer, O., Lampert, C., &#38; Schölkopf, B. (2014). Movement templates for learning of hitting and batting. In J. Kober &#38; J. Peters (Eds.), <i>Learning Motor Skills</i> (Vol. 97, pp. 69–82). Springer. <a href=\"https://doi.org/10.1007/978-3-319-03194-1_3\">https://doi.org/10.1007/978-3-319-03194-1_3</a>","mla":"Muelling, Katharina, et al. “Movement Templates for Learning of Hitting and Batting.” <i>Learning Motor Skills</i>, edited by Jens Kober and Jan Peters, vol. 97, Springer, 2014, pp. 69–82, doi:<a href=\"https://doi.org/10.1007/978-3-319-03194-1_3\">10.1007/978-3-319-03194-1_3</a>.","ama":"Muelling K, Kroemer O, Lampert C, Schölkopf B. Movement templates for learning of hitting and batting. In: Kober J, Peters J, eds. <i>Learning Motor Skills</i>. Vol 97. From Algorithms to Robot Experiments. Springer; 2014:69-82. doi:<a href=\"https://doi.org/10.1007/978-3-319-03194-1_3\">10.1007/978-3-319-03194-1_3</a>","ista":"Muelling K, Kroemer O, Lampert C, Schölkopf B. 2014.Movement templates for learning of hitting and batting. In: Learning Motor Skills. Springer Tracts in Advanced Robotics, vol. 97, 69–82.","chicago":"Muelling, Katharina, Oliver Kroemer, Christoph Lampert, and Bernhard Schölkopf. “Movement Templates for Learning of Hitting and Batting.” In <i>Learning Motor Skills</i>, edited by Jens Kober and Jan Peters, 97:69–82. From Algorithms to Robot Experiments. Springer, 2014. <a href=\"https://doi.org/10.1007/978-3-319-03194-1_3\">https://doi.org/10.1007/978-3-319-03194-1_3</a>.","short":"K. Muelling, O. Kroemer, C. Lampert, B. Schölkopf, in:, J. Kober, J. Peters (Eds.), Learning Motor Skills, Springer, 2014, pp. 69–82.","ieee":"K. Muelling, O. Kroemer, C. Lampert, and B. Schölkopf, “Movement templates for learning of hitting and batting,” in <i>Learning Motor Skills</i>, vol. 97, J. Kober and J. Peters, Eds. Springer, 2014, pp. 69–82."},"department":[{"_id":"ChLa"}],"alternative_title":["Springer Tracts in Advanced Robotics"],"user_id":"4435EBFC-F248-11E8-B48F-1D18A9856A87","date_updated":"2021-01-12T06:53:28Z","fulldoi":"https://doi.org/10.1007/978-3-319-03194-1_3","publication_status":"published"}]