[{"intvolume":"       446","page":"L36-L40","date_published":"2014-11-10T00:00:00Z","publication_identifier":{"issn":["1745-3933","1745-3925"]},"date_created":"2024-09-06T07:23:36Z","quality_controlled":"1","scopus_import":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","citation":{"ieee":"B. D. Farris, P. Duffell, A. I. MacFadyen, and Z. Haiman, “Characteristic signatures in the thermal emission from accreting binary black holes,” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>, vol. 446, no. 1. Oxford University Press, pp. L36–L40, 2014.","apa":"Farris, B. D., Duffell, P., MacFadyen, A. I., &#38; Haiman, Z. (2014). Characteristic signatures in the thermal emission from accreting binary black holes. <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. Oxford University Press. <a href=\"https://doi.org/10.1093/mnrasl/slu160\">https://doi.org/10.1093/mnrasl/slu160</a>","chicago":"Farris, Brian D., Paul Duffell, Andrew I. MacFadyen, and Zoltán Haiman. “Characteristic Signatures in the Thermal Emission from Accreting Binary Black Holes.” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. Oxford University Press, 2014. <a href=\"https://doi.org/10.1093/mnrasl/slu160\">https://doi.org/10.1093/mnrasl/slu160</a>.","ista":"Farris BD, Duffell P, MacFadyen AI, Haiman Z. 2014. Characteristic signatures in the thermal emission from accreting binary black holes. Monthly Notices of the Royal Astronomical Society: Letters. 446(1), L36–L40.","short":"B.D. Farris, P. Duffell, A.I. MacFadyen, Z. Haiman, Monthly Notices of the Royal Astronomical Society: Letters 446 (2014) L36–L40.","ama":"Farris BD, Duffell P, MacFadyen AI, Haiman Z. Characteristic signatures in the thermal emission from accreting binary black holes. <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. 2014;446(1):L36-L40. doi:<a href=\"https://doi.org/10.1093/mnrasl/slu160\">10.1093/mnrasl/slu160</a>","mla":"Farris, Brian D., et al. “Characteristic Signatures in the Thermal Emission from Accreting Binary Black Holes.” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>, vol. 446, no. 1, Oxford University Press, 2014, pp. L36–40, doi:<a href=\"https://doi.org/10.1093/mnrasl/slu160\">10.1093/mnrasl/slu160</a>."},"volume":446,"status":"public","year":"2014","type":"journal_article","issue":"1","language":[{"iso":"eng"}],"title":"Characteristic signatures in the thermal emission from accreting binary black holes","publication":"Monthly Notices of the Royal Astronomical Society: Letters","date_updated":"2024-09-24T12:07:00Z","month":"11","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1093/mnrasl/slu160"}],"oa":1,"article_type":"original","oa_version":"Published Version","extern":"1","publisher":"Oxford University Press","_id":"17644","author":[{"full_name":"Farris, Brian D.","first_name":"Brian D.","last_name":"Farris"},{"first_name":"Paul","full_name":"Duffell, Paul","last_name":"Duffell"},{"last_name":"MacFadyen","full_name":"MacFadyen, Andrew I.","first_name":"Andrew I."},{"last_name":"Haiman","id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36","full_name":"Haiman, Zoltán","first_name":"Zoltán"}],"publication_status":"published","day":"10","article_processing_charge":"No","abstract":[{"text":"We present the results of a calculation of the thermal spectrum from a 2D, moving mesh, high-accuracy, viscous hydrodynamical simulation of an accreting supermassive black hole (SMBHs) binary. We include viscous heating, shock heating, and radiative cooling, evolving for longer than a viscous time so that we reach a quasi-steady accretion state. In agreement with previous work, we find that gas is efficiently stripped from the inner edge of the circumbinary disc and enters the cavity along accretion streams, which feed persistent ‘minidiscs’ surrounding each black hole. We also find that emission from the shock-heated minidiscs and accretion streams prevents any deficit in high-energy emission that may be expected inside the circumbinary cavity, and instead leads to a characteristic brightening of the spectrum beginning in soft X-rays.","lang":"eng"}],"doi":"10.1093/mnrasl/slu160"},{"main_file_link":[{"url":"https://doi.org/10.1093/mnras/stu531","open_access":"1"}],"date_updated":"2024-09-24T12:10:12Z","month":"04","oa_version":"Published Version","oa":1,"article_type":"original","article_processing_charge":"No","abstract":[{"lang":"eng","text":"The rapid decline in the number of strong Lyman Alpha (Lya) emitting galaxies at z > 6 provides evidence for neutral hydrogen in the IGM, but is difficult to explain with plausible models for reionization. We demonstrate that the observed reduction in Lya flux from galaxies at z > 6 can be explained by evolution in the escape fraction of ionizing photons, f_esc. We find that the median observed drop in the fraction of galaxies showing strong Lya emission, as well as the observed evolution of the Lya luminosity function both follow from a small increase in f_esc of Delta f_esc ~ 0.1 from f_esc ~ 0.6 at z ~ 6. This high escape fraction may be at odds with current constraints on the ionising photon escape fraction, which favor smaller values of f_esc < 20%. However, models that invoke a redshift evolution of f_ esc that is consistent with these constraints can suppress the z~7 Lya flux to the observed level, if they also include a small evolution in global neutral fraction of Delta x_HI ~ 0.2. Thus, an evolving escape fraction of ionising photons can be a plausible part of the explanation for evolution in the Lya emission of high redshift galaxies. More generally, our analysis also shows that the drop in the Lya fraction is quantitatively consistent with the observed evolution in the Lya luminosity functions of Lya Emitters."}],"doi":"10.1093/mnras/stu531","extern":"1","_id":"17645","author":[{"last_name":"Dijkstra","full_name":"Dijkstra, Mark","first_name":"Mark"},{"last_name":"Wyithe","full_name":"Wyithe, Stuart","first_name":"Stuart"},{"full_name":"Haiman, Zoltán","first_name":"Zoltán","last_name":"Haiman","id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36"},{"last_name":"Mesinger","first_name":"Andrei","full_name":"Mesinger, Andrei"},{"last_name":"Pentericci","first_name":"Laura","full_name":"Pentericci, Laura"}],"publication_status":"published","publisher":"Oxford University Press","day":"17","page":"3309-3316","date_published":"2014-04-17T00:00:00Z","intvolume":"       440","publication_identifier":{"issn":["1365-2966","0035-8711"]},"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","citation":{"short":"M. Dijkstra, S. Wyithe, Z. Haiman, A. Mesinger, L. Pentericci, Monthly Notices of the Royal Astronomical Society 440 (2014) 3309–3316.","ista":"Dijkstra M, Wyithe S, Haiman Z, Mesinger A, Pentericci L. 2014. Evolution in the escape fraction of ionizing photons and the decline in strong Lyα emission from z &#62; 6 galaxies. Monthly Notices of the Royal Astronomical Society. 440(4), 3309–3316.","mla":"Dijkstra, Mark, et al. “Evolution in the Escape Fraction of Ionizing Photons and the Decline in Strong Lyα Emission from z &#62; 6 Galaxies.” <i>Monthly Notices of the Royal Astronomical Society</i>, vol. 440, no. 4, Oxford University Press, 2014, pp. 3309–16, doi:<a href=\"https://doi.org/10.1093/mnras/stu531\">10.1093/mnras/stu531</a>.","ama":"Dijkstra M, Wyithe S, Haiman Z, Mesinger A, Pentericci L. Evolution in the escape fraction of ionizing photons and the decline in strong Lyα emission from z &#62; 6 galaxies. <i>Monthly Notices of the Royal Astronomical Society</i>. 2014;440(4):3309-3316. doi:<a href=\"https://doi.org/10.1093/mnras/stu531\">10.1093/mnras/stu531</a>","apa":"Dijkstra, M., Wyithe, S., Haiman, Z., Mesinger, A., &#38; Pentericci, L. (2014). Evolution in the escape fraction of ionizing photons and the decline in strong Lyα emission from z &#62; 6 galaxies. <i>Monthly Notices of the Royal Astronomical Society</i>. Oxford University Press. <a href=\"https://doi.org/10.1093/mnras/stu531\">https://doi.org/10.1093/mnras/stu531</a>","ieee":"M. Dijkstra, S. Wyithe, Z. Haiman, A. Mesinger, and L. Pentericci, “Evolution in the escape fraction of ionizing photons and the decline in strong Lyα emission from z &#62; 6 galaxies,” <i>Monthly Notices of the Royal Astronomical Society</i>, vol. 440, no. 4. Oxford University Press, pp. 3309–3316, 2014.","chicago":"Dijkstra, Mark, Stuart Wyithe, Zoltán Haiman, Andrei Mesinger, and Laura Pentericci. “Evolution in the Escape Fraction of Ionizing Photons and the Decline in Strong Lyα Emission from z &#62; 6 Galaxies.” <i>Monthly Notices of the Royal Astronomical Society</i>. Oxford University Press, 2014. <a href=\"https://doi.org/10.1093/mnras/stu531\">https://doi.org/10.1093/mnras/stu531</a>."},"volume":440,"status":"public","date_created":"2024-09-06T07:24:26Z","quality_controlled":"1","scopus_import":"1","language":[{"iso":"eng"}],"title":"Evolution in the escape fraction of ionizing photons and the decline in strong Lyα emission from z > 6 galaxies","publication":"Monthly Notices of the Royal Astronomical Society","type":"journal_article","year":"2014","issue":"4"},{"abstract":[{"text":"High-redshift quasar observations imply that supermassive black holes (SMBHs) larger than ∼109 M⊙ formed before z=6. That such large SMBHs formed so early in the Universe remains an open theoretical problem. One possibility is that gas in atomic cooling halos exposed to strong Lyman-Werner (LW) radiation forms 104−106 M⊙ supermassive stars which quickly collapse into black holes. We propose a scenario for direct collapse black hole (DCBH) formation based on synchronized pairs of pristine atomic cooling halos. We consider halos at very small separation with one halo being a subhalo of the other. The first halo to surpass the atomic cooling threshold forms stars. Soon after these stars are formed, the other halo reaches the cooling threshold and due to its small distance from the newly formed galaxy, is exposed to the critical LW intensity required to form a DCBH. The main advantage of this scenario is that synchronization can potentially prevent photoevaporation and metal pollution in DCBH-forming halos. Since the halos reach the atomic cooling threshold at nearly the same time, the DCBH-forming halo is only exposed to ionizing radiation for a brief period. Tight synchronization could allow the DCBH to form before stars in the nearby galaxy reach the end of their lives and generate supernovae winds. We use N-body simulations to estimate the abundance of DCBHs formed in this way. The largest source of uncertainty in our estimate is the initial mass function (IMF) of metal free stars formed in atomic cooling halos. We find that even for tight synchronization, the density of DCBHs formed in this scenario could explain the SMBHs implied by z=6 quasar observations. Metal pollution and photoevaporation could potentially reduce the abundance of DCBHs below that required to explain the observations in other models that rely on a high LW flux.","lang":"eng"}],"article_processing_charge":"No","doi":"10.1093/mnras/stu1794","day":"08","extern":"1","_id":"17650","publication_status":"published","author":[{"last_name":"Visbal","full_name":"Visbal, Eli","first_name":"Eli"},{"id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36","last_name":"Haiman","full_name":"Haiman, Zoltán","first_name":"Zoltán"},{"first_name":"Greg L.","full_name":"Bryan, Greg L.","last_name":"Bryan"}],"publisher":"Oxford University Press","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1093/mnras/stu1794"}],"month":"10","date_updated":"2024-09-24T13:02:31Z","oa_version":"Published Version","article_type":"original","oa":1,"volume":445,"status":"public","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","citation":{"ama":"Visbal E, Haiman Z, Bryan GL. Direct collapse black hole formation from synchronized pairs of atomic cooling haloes. <i>Monthly Notices of the Royal Astronomical Society</i>. 2014;445(1):1056-1063. doi:<a href=\"https://doi.org/10.1093/mnras/stu1794\">10.1093/mnras/stu1794</a>","mla":"Visbal, Eli, et al. “Direct Collapse Black Hole Formation from Synchronized Pairs of Atomic Cooling Haloes.” <i>Monthly Notices of the Royal Astronomical Society</i>, vol. 445, no. 1, Oxford University Press, 2014, pp. 1056–63, doi:<a href=\"https://doi.org/10.1093/mnras/stu1794\">10.1093/mnras/stu1794</a>.","short":"E. Visbal, Z. Haiman, G.L. Bryan, Monthly Notices of the Royal Astronomical Society 445 (2014) 1056–1063.","ista":"Visbal E, Haiman Z, Bryan GL. 2014. Direct collapse black hole formation from synchronized pairs of atomic cooling haloes. Monthly Notices of the Royal Astronomical Society. 445(1), 1056–1063.","chicago":"Visbal, Eli, Zoltán Haiman, and Greg L. Bryan. “Direct Collapse Black Hole Formation from Synchronized Pairs of Atomic Cooling Haloes.” <i>Monthly Notices of the Royal Astronomical Society</i>. Oxford University Press, 2014. <a href=\"https://doi.org/10.1093/mnras/stu1794\">https://doi.org/10.1093/mnras/stu1794</a>.","ieee":"E. Visbal, Z. Haiman, and G. L. Bryan, “Direct collapse black hole formation from synchronized pairs of atomic cooling haloes,” <i>Monthly Notices of the Royal Astronomical Society</i>, vol. 445, no. 1. Oxford University Press, pp. 1056–1063, 2014.","apa":"Visbal, E., Haiman, Z., &#38; Bryan, G. L. (2014). Direct collapse black hole formation from synchronized pairs of atomic cooling haloes. <i>Monthly Notices of the Royal Astronomical Society</i>. Oxford University Press. <a href=\"https://doi.org/10.1093/mnras/stu1794\">https://doi.org/10.1093/mnras/stu1794</a>"},"scopus_import":"1","quality_controlled":"1","date_created":"2024-09-06T07:28:59Z","title":"Direct collapse black hole formation from synchronized pairs of atomic cooling haloes","publication":"Monthly Notices of the Royal Astronomical Society","language":[{"iso":"eng"}],"type":"journal_article","issue":"1","year":"2014","date_published":"2014-10-08T00:00:00Z","page":"1056-1063","intvolume":"       445","publication_identifier":{"issn":["0035-8711","1365-2966"]}},{"publication":"Monthly Notices of the Royal Astronomical Society: Letters","title":"Lyman edges in supermassive black hole binaries","language":[{"iso":"eng"}],"year":"2014","type":"journal_article","issue":"1","status":"public","volume":443,"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","citation":{"ista":"Generozov A, Haiman Z. 2014. Lyman edges in supermassive black hole binaries. Monthly Notices of the Royal Astronomical Society: Letters. 443(1), L64–L68.","short":"A. Generozov, Z. Haiman, Monthly Notices of the Royal Astronomical Society: Letters 443 (2014) L64–L68.","mla":"Generozov, Aleksey, and Zoltán Haiman. “Lyman Edges in Supermassive Black Hole Binaries.” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>, vol. 443, no. 1, Oxford University Press, 2014, pp. L64–68, doi:<a href=\"https://doi.org/10.1093/mnrasl/slu075\">10.1093/mnrasl/slu075</a>.","ama":"Generozov A, Haiman Z. Lyman edges in supermassive black hole binaries. <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. 2014;443(1):L64-L68. doi:<a href=\"https://doi.org/10.1093/mnrasl/slu075\">10.1093/mnrasl/slu075</a>","apa":"Generozov, A., &#38; Haiman, Z. (2014). Lyman edges in supermassive black hole binaries. <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. Oxford University Press. <a href=\"https://doi.org/10.1093/mnrasl/slu075\">https://doi.org/10.1093/mnrasl/slu075</a>","ieee":"A. Generozov and Z. Haiman, “Lyman edges in supermassive black hole binaries,” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>, vol. 443, no. 1. Oxford University Press, pp. L64–L68, 2014.","chicago":"Generozov, Aleksey, and Zoltán Haiman. “Lyman Edges in Supermassive Black Hole Binaries.” <i>Monthly Notices of the Royal Astronomical Society: Letters</i>. Oxford University Press, 2014. <a href=\"https://doi.org/10.1093/mnrasl/slu075\">https://doi.org/10.1093/mnrasl/slu075</a>."},"scopus_import":"1","quality_controlled":"1","date_created":"2024-09-06T08:15:56Z","publication_identifier":{"issn":["1745-3933","1745-3925"]},"date_published":"2014-07-02T00:00:00Z","page":"L64-L68","intvolume":"       443","doi":"10.1093/mnrasl/slu075","abstract":[{"text":"We propose a new spectral signature for supermassive black hole binaries (SMBHBs) with circumbinary gas discs: a sharp drop in flux bluewards of the Lyman limit. A prominent edge is produced if the gas dominating the emission in the Lyman continuum region of the spectrum is sufficiently cold (T ≲ 20 000 K) to contain significant neutral hydrogen. Circumbinary discs may be in this regime if the binary torques open a central cavity in the disc and clear most of the hot gas from the inner region, and if any residual UV emission from the individual BHs is either dim or intermittent. We model the vertical structure and spectra of circumbinary discs using the radiative transfer code tlusty, and identify the range of BH masses and binary separations producing a Lyman edge. We find that compact supermassive (M ≳ 108 M⊙) binaries with orbital periods of ∼0.1–10 yr, whose gravitational waves are expected to be detectable by pulsar timing arrays, could have prominent Lyman edges. Such strong spectral edge features are not typically present in AGN spectra and could serve as corroborating evidence for the presence of an SMBHB.","lang":"eng"}],"article_processing_charge":"No","day":"02","_id":"17682","publisher":"Oxford University Press","publication_status":"published","author":[{"last_name":"Generozov","first_name":"Aleksey","full_name":"Generozov, Aleksey"},{"first_name":"Zoltán","full_name":"Haiman, Zoltán","last_name":"Haiman","id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36"}],"extern":"1","oa_version":"Published Version","article_type":"original","oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1093/mnrasl/slu075"}],"month":"07","date_updated":"2024-09-25T09:10:05Z"},{"day":"15","extern":"1","publisher":"American Astronomical Society","_id":"17689","author":[{"first_name":"Ian D.","full_name":"McGreer, Ian D.","last_name":"McGreer"},{"first_name":"Xiaohui","full_name":"Fan, Xiaohui","last_name":"Fan"},{"full_name":"Strauss, Michael A.","first_name":"Michael A.","last_name":"Strauss"},{"full_name":"Haiman, Zoltán","first_name":"Zoltán","last_name":"Haiman","id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36"},{"last_name":"Richards","full_name":"Richards, Gordon T.","first_name":"Gordon T."},{"full_name":"Jiang, Linhua","first_name":"Linhua","last_name":"Jiang"},{"last_name":"Bian","first_name":"Fuyan","full_name":"Bian, Fuyan"},{"last_name":"Schneider","full_name":"Schneider, Donald P.","first_name":"Donald P."}],"publication_status":"published","abstract":[{"text":"We report the serendipitous discoveries of companion galaxies to two high-redshift quasars. SDSS J025617.7+001904 is a z=4.79 quasar included in our recent survey of faint quasars in the SDSS Stripe 82 region. The initial MMT slit spectroscopy shows excess Lyman alpha emission extending well beyond the quasar's light profile. Further imaging and spectroscopy with LBT/MODS1 confirms the presence of a bright galaxy (i_AB = 23.6) located 2arcsec (12 kpc projected) from the quasar with strong Lyman alpha emission (EW_0 ~ 100Ang) at the redshift of the quasar, as well as faint continuum. The second quasar, CFHQS J005006.6+344522 (z=6.25), is included in our recent HST SNAP survey of z~6 quasars searching for evidence of gravitational lensing. Deep imaging with ACS and WFC3 confirms an optical dropout ~4.5 mag fainter than the quasar (Y_AB=25) at a separation of 0.9 arcsec. The red i_775-Y_105 color of the galaxy and its proximity to the quasar (5 kpc projected if at the quasar redshift) strongly favor an association with the quasar. Although it is much fainter than the quasar it is remarkably bright when compared to field galaxies at this redshift, while showing no evidence for lensing. Both systems may represent late-stage mergers of two massive galaxies, with the observed light for one dominated by powerful ongoing star formation and for the other by rapid black hole growth. Observations of close companions are rare; if major mergers are primarily responsible for high-redshift quasar fueling then the phase when progenitor galaxies can be observed as bright companions is relatively short.","lang":"eng"}],"article_processing_charge":"No","doi":"10.1088/0004-6256/148/4/73","month":"09","date_updated":"2024-09-25T09:51:31Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1088/0004-6256/148/4/73"}],"oa":1,"article_type":"original","oa_version":"Published Version","scopus_import":"1","quality_controlled":"1","date_created":"2024-09-06T08:24:25Z","volume":148,"status":"public","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","citation":{"chicago":"McGreer, Ian D., Xiaohui Fan, Michael A. Strauss, Zoltán Haiman, Gordon T. Richards, Linhua Jiang, Fuyan Bian, and Donald P. Schneider. “Close Companions to Two High-Redshift Quasars.” <i>The Astronomical Journal</i>. American Astronomical Society, 2014. <a href=\"https://doi.org/10.1088/0004-6256/148/4/73\">https://doi.org/10.1088/0004-6256/148/4/73</a>.","apa":"McGreer, I. D., Fan, X., Strauss, M. A., Haiman, Z., Richards, G. T., Jiang, L., … Schneider, D. P. (2014). Close companions to two high-redshift quasars. <i>The Astronomical Journal</i>. American Astronomical Society. <a href=\"https://doi.org/10.1088/0004-6256/148/4/73\">https://doi.org/10.1088/0004-6256/148/4/73</a>","ieee":"I. D. McGreer <i>et al.</i>, “Close companions to two high-redshift quasars,” <i>The Astronomical Journal</i>, vol. 148, no. 4. American Astronomical Society, 2014.","mla":"McGreer, Ian D., et al. “Close Companions to Two High-Redshift Quasars.” <i>The Astronomical Journal</i>, vol. 148, no. 4, 73, American Astronomical Society, 2014, doi:<a href=\"https://doi.org/10.1088/0004-6256/148/4/73\">10.1088/0004-6256/148/4/73</a>.","ama":"McGreer ID, Fan X, Strauss MA, et al. Close companions to two high-redshift quasars. <i>The Astronomical Journal</i>. 2014;148(4). doi:<a href=\"https://doi.org/10.1088/0004-6256/148/4/73\">10.1088/0004-6256/148/4/73</a>","ista":"McGreer ID, Fan X, Strauss MA, Haiman Z, Richards GT, Jiang L, Bian F, Schneider DP. 2014. Close companions to two high-redshift quasars. The Astronomical Journal. 148(4), 73.","short":"I.D. McGreer, X. Fan, M.A. Strauss, Z. Haiman, G.T. Richards, L. Jiang, F. Bian, D.P. Schneider, The Astronomical Journal 148 (2014)."},"issue":"4","type":"journal_article","year":"2014","title":"Close companions to two high-redshift quasars","publication":"The Astronomical Journal","language":[{"iso":"eng"}],"intvolume":"       148","date_published":"2014-09-15T00:00:00Z","article_number":"73","publication_identifier":{"issn":["1538-3881"]}},{"volume":445,"status":"public","citation":{"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>","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>.","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.","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>.","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.","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>"},"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","scopus_import":"1","quality_controlled":"1","date_created":"2024-09-06T08:38:54Z","title":"Stars as resonant absorbers of gravitational waves","publication":"Monthly Notices of the Royal Astronomical Society: Letters","language":[{"iso":"eng"}],"type":"journal_article","year":"2014","issue":"1","date_published":"2014-09-18T00:00:00Z","page":"L74-L78","intvolume":"       445","publication_identifier":{"issn":["1745-3933","1745-3925"]},"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"}],"article_processing_charge":"No","doi":"10.1093/mnrasl/slu136","day":"18","extern":"1","_id":"17692","author":[{"last_name":"McKernan","first_name":"B.","full_name":"McKernan, B."},{"last_name":"Ford","first_name":"K. E. S.","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","first_name":"Zoltán","full_name":"Haiman, Zoltán"}],"publisher":"Oxford University Press","publication_status":"published","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1093/mnrasl/slu136"}],"month":"09","date_updated":"2024-09-25T09:58:34Z","oa_version":"Published Version","article_type":"original","oa":1},{"oa":1,"article_type":"original","oa_version":"Preprint","month":"01","date_updated":"2024-09-25T11:33:58Z","main_file_link":[{"url":" https://doi.org/10.48550/arXiv.1310.7517","open_access":"1"}],"day":"21","publisher":"American Physical Society","_id":"17703","publication_status":"published","author":[{"last_name":"Liu","full_name":"Liu, Jia","first_name":"Jia"},{"first_name":"Zoltán","full_name":"Haiman, Zoltán","last_name":"Haiman","id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36"},{"last_name":"Hui","full_name":"Hui, Lam","first_name":"Lam"},{"last_name":"Kratochvil","first_name":"Jan M.","full_name":"Kratochvil, Jan M."},{"last_name":"May","full_name":"May, Morgan","first_name":"Morgan"}],"external_id":{"arxiv":["1310.7517"]},"extern":"1","doi":"10.1103/physrevd.89.023515","article_processing_charge":"No","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."}],"publication_identifier":{"issn":["1550-7998","1550-2368"]},"intvolume":"        89","article_number":"023515","date_published":"2014-01-21T00:00:00Z","arxiv":1,"type":"journal_article","year":"2014","issue":"2","publication":"Physical Review D","title":"Impact of magnification and size bias on the weak lensing power spectrum and peak statistics","language":[{"iso":"eng"}],"quality_controlled":"1","scopus_import":"1","date_created":"2024-09-06T08:49:04Z","status":"public","volume":89,"citation":{"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.","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>.","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>","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>","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.","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>."},"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345"},{"_id":"1791","publication_status":"published","date_created":"2018-12-11T11:54:01Z","publisher":"Elsevier","author":[{"first_name":"Seungtae","full_name":"Baek, SeungTae","last_name":"Baek"},{"first_name":"Géraldine","full_name":"Kerjan, Géraldine","last_name":"Kerjan"},{"first_name":"Stephanie","full_name":"Bielas, Stephanie L","last_name":"Bielas"},{"last_name":"Lee","first_name":"Jieun","full_name":"Lee, Jieun"},{"last_name":"Fenstermaker","first_name":"Ali","full_name":"Fenstermaker, Ali G"},{"last_name":"Novarino","id":"3E57A680-F248-11E8-B48F-1D18A9856A87","first_name":"Gaia","orcid":"0000-0002-7673-7178","full_name":"Gaia Novarino"},{"last_name":"Gleeson","full_name":"Gleeson, Joseph G","first_name":"Joseph"}],"extern":1,"quality_controlled":0,"day":"18","citation":{"ieee":"S. Baek <i>et al.</i>, “Off-target effect of doublecortin family shRNA on neuronal migration associated with endogenous MicroRNA dysregulation,” <i>Neuron</i>, vol. 82, no. 6. Elsevier, pp. 1255–1262, 2014.","apa":"Baek, S., Kerjan, G., Bielas, S., Lee, J., Fenstermaker, A., Novarino, G., &#38; Gleeson, J. (2014). Off-target effect of doublecortin family shRNA on neuronal migration associated with endogenous MicroRNA dysregulation. <i>Neuron</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.neuron.2014.04.036\">https://doi.org/10.1016/j.neuron.2014.04.036</a>","chicago":"Baek, Seungtae, Géraldine Kerjan, Stephanie Bielas, Jieun Lee, Ali Fenstermaker, Gaia Novarino, and Joseph Gleeson. “Off-Target Effect of Doublecortin Family ShRNA on Neuronal Migration Associated with Endogenous MicroRNA Dysregulation.” <i>Neuron</i>. Elsevier, 2014. <a href=\"https://doi.org/10.1016/j.neuron.2014.04.036\">https://doi.org/10.1016/j.neuron.2014.04.036</a>.","ista":"Baek S, Kerjan G, Bielas S, Lee J, Fenstermaker A, Novarino G, Gleeson J. 2014. Off-target effect of doublecortin family shRNA on neuronal migration associated with endogenous MicroRNA dysregulation. Neuron. 82(6), 1255–1262.","short":"S. Baek, G. Kerjan, S. Bielas, J. Lee, A. Fenstermaker, G. Novarino, J. Gleeson, Neuron 82 (2014) 1255–1262.","ama":"Baek S, Kerjan G, Bielas S, et al. Off-target effect of doublecortin family shRNA on neuronal migration associated with endogenous MicroRNA dysregulation. <i>Neuron</i>. 2014;82(6):1255-1262. doi:<a href=\"https://doi.org/10.1016/j.neuron.2014.04.036\">10.1016/j.neuron.2014.04.036</a>","mla":"Baek, Seungtae, et al. “Off-Target Effect of Doublecortin Family ShRNA on Neuronal Migration Associated with Endogenous MicroRNA Dysregulation.” <i>Neuron</i>, vol. 82, no. 6, Elsevier, 2014, pp. 1255–62, doi:<a href=\"https://doi.org/10.1016/j.neuron.2014.04.036\">10.1016/j.neuron.2014.04.036</a>."},"status":"public","doi":"10.1016/j.neuron.2014.04.036","abstract":[{"text":"Acute gene inactivation using short hairpin RNA (shRNA, knockdown) in developing brain is a powerful technique to study genetic function; however, discrepancies between knockdown and knockout murine phenotypes have left unanswered questions. For example, doublecortin (Dcx) knockdown but not knockout shows a neocortical neuronal migration phenotype. Here we report that in utero electroporation of shRNA, but not siRNA or miRNA, to Dcx demonstrates a migration phenotype in Dcx knockouts akin to the effect in wild-type mice, suggestingshRNA-mediated off-target toxicity. This effect wasnot limited to Dcx, as it was observed in Dclk1 knockouts, as well as with a fraction of scrambled shRNAs, suggesting a sequence-dependent but not sequence-specific effect. Profiling RNAs from electroporated cells showed a defect in endogenous let7 miRNA levels, and disruption of let7 or Dicer recapitulated the migration defect. The results suggest that shRNA-mediated knockdown can produce untoward migration effects by altering endogenous miRNA pathways.","lang":"eng"}],"volume":82,"year":"2014","type":"journal_article","issue":"6","publication":"Neuron","title":"Off-target effect of doublecortin family shRNA on neuronal migration associated with endogenous MicroRNA dysregulation","publist_id":"5322","date_updated":"2021-01-12T06:53:13Z","month":"06","intvolume":"        82","page":"1255 - 1262","acknowledgement":"This work was supported by the National Institutes of Health R01NS41537. G.K. was supported by an EMBO Long Term Fellowship, S.L.B. by the A.P. Giannini Fellowship, and A.G.F. by the Brain Behavior Research Foundation","date_published":"2014-06-18T00:00:00Z"},{"article_processing_charge":"No","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."}],"doi":"10.1021/jp512146t","day":"29","extern":"1","publication_status":"published","author":[{"full_name":"Balducci, Gabriele","first_name":"Gabriele","last_name":"Balducci"},{"last_name":"Romeo","full_name":"Romeo, Michele","first_name":"Michele"},{"first_name":"Mauro","full_name":"Stener, Mauro","last_name":"Stener"},{"last_name":"Fronzoni","first_name":"Giovanna","full_name":"Fronzoni, Giovanna"},{"last_name":"Cvetko","first_name":"Dean","full_name":"Cvetko, Dean"},{"first_name":"Albano","full_name":"Cossaro, Albano","last_name":"Cossaro"},{"last_name":"Dell’Angela","first_name":"Martina","full_name":"Dell’Angela, Martina"},{"first_name":"Gregor","full_name":"Kladnik, Gregor","last_name":"Kladnik"},{"full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman"},{"full_name":"Morgante, Alberto","first_name":"Alberto","last_name":"Morgante"}],"publisher":"American Chemical Society","_id":"17977","OA_type":"closed access","month":"12","date_updated":"2025-01-02T13:40:42Z","oa_version":"None","article_type":"original","volume":119,"status":"public","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>.","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.","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>","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>","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>.","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.","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."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","quality_controlled":"1","scopus_import":"1","date_created":"2024-09-09T10:56:21Z","title":"Computational study of amino mediated molecular interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111)","publication":"The Journal of Physical Chemistry C","language":[{"iso":"eng"}],"issue":"4","type":"journal_article","year":"2014","date_published":"2014-12-29T00:00:00Z","page":"1988-1995","intvolume":"       119","publication_identifier":{"eissn":["1932-7455"],"issn":["1932-7447"]}},{"intvolume":"         5","date_published":"2014-07-31T00:00:00Z","page":"4419-4423","publication_identifier":{"issn":["2041-6520"],"eissn":["2041-6539"]},"quality_controlled":"1","scopus_import":"1","date_created":"2024-09-09T10:57:04Z","volume":5,"status":"public","citation":{"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>","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.","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>.","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.","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.","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>.","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>"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","type":"journal_article","issue":"11","year":"2014","title":"Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy","publication":"Chemical Science","language":[{"iso":"eng"}],"month":"07","date_updated":"2025-01-02T13:44:36Z","OA_type":"closed access","article_type":"original","oa_version":"None","day":"31","extern":"1","author":[{"full_name":"Batra, Arunabh","first_name":"Arunabh","last_name":"Batra"},{"last_name":"Cvetko","full_name":"Cvetko, Dean","first_name":"Dean"},{"first_name":"Gregor","full_name":"Kladnik, Gregor","last_name":"Kladnik"},{"first_name":"Olgun","full_name":"Adak, Olgun","last_name":"Adak"},{"first_name":"Claudia","full_name":"Cardoso, Claudia","last_name":"Cardoso"},{"full_name":"Ferretti, Andrea","first_name":"Andrea","last_name":"Ferretti"},{"last_name":"Prezzi","full_name":"Prezzi, Deborah","first_name":"Deborah"},{"last_name":"Molinari","first_name":"Elisa","full_name":"Molinari, Elisa"},{"full_name":"Morgante, Alberto","first_name":"Alberto","last_name":"Morgante"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","first_name":"Latha","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089"}],"publication_status":"published","publisher":"Royal Society of Chemistry","_id":"17978","abstract":[{"lang":"eng","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."}],"article_processing_charge":"No","doi":"10.1039/c4sc01584c"},{"oa_version":"None","article_type":"letter_note","OA_type":"closed access","date_updated":"2025-01-02T13:46:59Z","month":"08","doi":"10.1021/nl5025062","article_processing_charge":"No","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"}],"publication_status":"published","_id":"17979","external_id":{"pmid":["25111197"]},"publisher":"American Chemical Society","author":[{"last_name":"Liu","full_name":"Liu, Zhen-Fei","first_name":"Zhen-Fei"},{"full_name":"Wei, Sujun","first_name":"Sujun","last_name":"Wei"},{"last_name":"Yoon","first_name":"Hongsik","full_name":"Yoon, Hongsik"},{"last_name":"Adak","first_name":"Olgun","full_name":"Adak, Olgun"},{"full_name":"Ponce, Ingrid","first_name":"Ingrid","last_name":"Ponce"},{"full_name":"Jiang, Yivan","first_name":"Yivan","last_name":"Jiang"},{"last_name":"Jang","full_name":"Jang, Woo-Dong","first_name":"Woo-Dong"},{"full_name":"Campos, Luis M.","first_name":"Luis M.","last_name":"Campos"},{"first_name":"Latha","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman"},{"full_name":"Neaton, Jeffrey B.","first_name":"Jeffrey B.","last_name":"Neaton"}],"extern":"1","day":"11","publication_identifier":{"issn":["1530-6984"],"eissn":["1530-6992"]},"page":"5365-5370","date_published":"2014-08-11T00:00:00Z","intvolume":"        14","language":[{"iso":"eng"}],"publication":"Nano Letters","title":"Control of single-molecule junction conductance of porphyrins via a transition-metal center","type":"journal_article","year":"2014","issue":"9","pmid":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"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>.","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>","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.","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>.","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>","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.","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."},"status":"public","volume":14,"date_created":"2024-09-09T10:57:42Z","quality_controlled":"1","scopus_import":"1"},{"article_processing_charge":"No","abstract":[{"lang":"eng","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."}],"doi":"10.1021/ja5061406","day":"14","extern":"1","publication_status":"published","_id":"17980","external_id":{"pmid":["25121718"]},"publisher":"American Chemical Society","author":[{"last_name":"Batra","first_name":"Arunabh","full_name":"Batra, Arunabh"},{"first_name":"Gregor","full_name":"Kladnik, Gregor","last_name":"Kladnik"},{"last_name":"Gorjizadeh","first_name":"Narjes","full_name":"Gorjizadeh, Narjes"},{"full_name":"Meisner, Jeffrey","first_name":"Jeffrey","last_name":"Meisner"},{"full_name":"Steigerwald, Michael","first_name":"Michael","last_name":"Steigerwald"},{"last_name":"Nuckolls","full_name":"Nuckolls, Colin","first_name":"Colin"},{"first_name":"Su Ying","full_name":"Quek, Su Ying","last_name":"Quek"},{"first_name":"Dean","full_name":"Cvetko, Dean","last_name":"Cvetko"},{"last_name":"Morgante","full_name":"Morgante, Alberto","first_name":"Alberto"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","first_name":"Latha"}],"month":"08","date_updated":"2025-01-02T13:49:12Z","oa_version":"None","article_type":"letter_note","volume":136,"status":"public","citation":{"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.","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>","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.","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.","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>","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>."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","quality_controlled":"1","scopus_import":"1","date_created":"2024-09-09T10:59:21Z","title":"Trimethyltin-mediated covalent Gold–Carbon bond formation","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"pmid":1,"issue":"36","type":"journal_article","year":"2014","date_published":"2014-08-14T00:00:00Z","page":"12556-12559","intvolume":"       136","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]}},{"intvolume":"       174","month":"11","date_updated":"2025-01-02T14:02:21Z","date_published":"2014-11-18T00:00:00Z","page":"125-151","article_type":"original","publication_identifier":{"issn":["1359-6640"],"eissn":["1364-5498"]},"oa_version":"None","day":"18","scopus_import":"1","quality_controlled":"1","extern":"1","_id":"17981","author":[{"last_name":"Hodgkiss","first_name":"Justin","full_name":"Hodgkiss, Justin"},{"first_name":"Eli","full_name":"Zysman-Colman, Eli","last_name":"Zysman-Colman"},{"first_name":"Simon","full_name":"Higgins, Simon","last_name":"Higgins"},{"first_name":"Gemma","full_name":"Solomon, Gemma","last_name":"Solomon"},{"last_name":"Bâldea","full_name":"Bâldea, Ioan","first_name":"Ioan"},{"first_name":"Ifor","full_name":"Samuel, Ifor","last_name":"Samuel"},{"first_name":"Latha","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman"},{"last_name":"Wudl","full_name":"Wudl, Fred","first_name":"Fred"},{"first_name":"Bingqian","full_name":"Xu, Bingqian","last_name":"Xu"},{"last_name":"Venkatramani","first_name":"Ravindra","full_name":"Venkatramani, Ravindra"},{"last_name":"Ottosson","first_name":"Henrik","full_name":"Ottosson, Henrik"},{"full_name":"Perepichka, Dmitrii","first_name":"Dmitrii","last_name":"Perepichka"},{"full_name":"Lemmer, Uli","first_name":"Uli","last_name":"Lemmer"},{"full_name":"Skabara, Peter","first_name":"Peter","last_name":"Skabara"},{"first_name":"Andrew","full_name":"Mount, Andrew","last_name":"Mount"},{"first_name":"Donal","full_name":"Bradley, Donal","last_name":"Bradley"}],"external_id":{"pmid":["25406517"]},"date_created":"2024-09-09T11:03:37Z","publisher":"Royal Society of Chemistry","publication_status":"published","article_processing_charge":"No","volume":174,"status":"public","doi":"10.1039/c4fd90049a","citation":{"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.","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.","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>.","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>","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.","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>."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"type":"journal_article","year":"2014","title":"Molecular electronics: General discussion","publication":"Faraday Discuss.","language":[{"iso":"eng"}]},{"date_created":"2024-09-09T11:04:25Z","quality_controlled":"1","scopus_import":"1","citation":{"short":"A. Batra, J.S. Meisner, P. Darancet, Q. Chen, M.L. Steigerwald, C. Nuckolls, L. Venkataraman, Faraday Discussions 174 (2014) 79–89.","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.","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>","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>.","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.","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>","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>."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","volume":174,"status":"public","year":"2014","type":"journal_article","pmid":1,"language":[{"iso":"eng"}],"title":"Molecular diodes enabled by quantum interference","publication":"Faraday Discussions","intvolume":"       174","page":"79-89","date_published":"2014-06-17T00:00:00Z","publication_identifier":{"eissn":["1364-5498"],"issn":["1359-6640"]},"extern":"1","publisher":"Royal Society of Chemistry","_id":"17982","author":[{"last_name":"Batra","first_name":"Arunabh","full_name":"Batra, Arunabh"},{"first_name":"Jeffrey S.","full_name":"Meisner, Jeffrey S.","last_name":"Meisner"},{"full_name":"Darancet, Pierre","first_name":"Pierre","last_name":"Darancet"},{"first_name":"Qishui","full_name":"Chen, Qishui","last_name":"Chen"},{"last_name":"Steigerwald","first_name":"Michael L.","full_name":"Steigerwald, Michael L."},{"last_name":"Nuckolls","full_name":"Nuckolls, Colin","first_name":"Colin"},{"first_name":"Latha","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}],"external_id":{"pmid":["25268850"]},"publication_status":"published","day":"17","article_processing_charge":"No","abstract":[{"lang":"eng","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."}],"doi":"10.1039/c4fd00093e","date_updated":"2025-01-02T14:04:45Z","month":"06","OA_type":"closed access","article_type":"original","oa_version":"None"},{"doi":"10.1021/ja505277z","article_processing_charge":"No","abstract":[{"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.","lang":"eng"}],"day":"08","publisher":"American Chemical Society","_id":"17983","external_id":{"pmid":["25003761"]},"author":[{"last_name":"Capozzi","full_name":"Capozzi, Brian","first_name":"Brian"},{"first_name":"Emma J.","full_name":"Dell, Emma J.","last_name":"Dell"},{"last_name":"Berkelbach","first_name":"Timothy C.","full_name":"Berkelbach, Timothy C."},{"first_name":"David R.","full_name":"Reichman, David R.","last_name":"Reichman"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","first_name":"Latha"},{"first_name":"Luis M.","full_name":"Campos, Luis M.","last_name":"Campos"}],"publication_status":"published","extern":"1","oa_version":"None","article_type":"original","OA_type":"closed access","month":"07","date_updated":"2025-01-02T14:06:54Z","publication":"Journal of the American Chemical Society","title":"Length-dependent conductance of oligothiophenes","language":[{"iso":"eng"}],"pmid":1,"year":"2014","type":"journal_article","issue":"29","status":"public","volume":136,"citation":{"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>","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.","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>.","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.","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>.","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>"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","quality_controlled":"1","scopus_import":"1","date_created":"2024-09-09T11:06:46Z","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"date_published":"2014-07-08T00:00:00Z","page":"10486-10492","intvolume":"       136"},{"pmid":1,"year":"2014","issue":"7","type":"journal_article","title":"Quantitative bond energetics in atomic-scale junctions","publication":"ACS Nano","language":[{"iso":"eng"}],"quality_controlled":"1","scopus_import":"1","date_created":"2024-09-09T11:07:34Z","volume":8,"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"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.","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>","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>.","short":"S.V. Aradhya, A. Nielsen, M.S. Hybertsen, L. Venkataraman, ACS Nano 8 (2014) 7522–7530.","ista":"Aradhya SV, Nielsen A, Hybertsen MS, Venkataraman L. 2014. Quantitative bond energetics in atomic-scale junctions. ACS Nano. 8(7), 7522–7530.","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>","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>."},"publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"intvolume":"         8","date_published":"2014-06-19T00:00:00Z","page":"7522-7530","day":"19","extern":"1","_id":"17984","external_id":{"pmid":["24945851"]},"publisher":"American Chemical Society","author":[{"last_name":"Aradhya","first_name":"Sriharsha V.","full_name":"Aradhya, Sriharsha V."},{"last_name":"Nielsen","full_name":"Nielsen, Aileen","first_name":"Aileen"},{"full_name":"Hybertsen, Mark S.","first_name":"Mark S.","last_name":"Hybertsen"},{"orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","first_name":"Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}],"publication_status":"published","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"}],"article_processing_charge":"No","doi":"10.1021/nn502836e","article_type":"original","oa_version":"None","month":"06","date_updated":"2025-01-02T14:08:57Z","OA_type":"closed access"},{"page":"2941-2945","arxiv":1,"date_published":"2014-04-18T00:00:00Z","intvolume":"        14","OA_place":"repository","publication_identifier":{"issn":["1530-6984"],"eissn":["1530-6992"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"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.","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.","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>.","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>","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>","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.","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>."},"status":"public","volume":14,"date_created":"2024-09-09T11:09:56Z","quality_controlled":"1","scopus_import":"1","language":[{"iso":"eng"}],"publication":"Nano Letters","title":"Breakdown of interference rules in azulene, a nonalternant hydrocarbon","type":"journal_article","year":"2014","issue":"5","pmid":1,"OA_type":"green","main_file_link":[{"url":"https://arxiv.org/abs/1411.5463","open_access":"1"}],"date_updated":"2025-01-02T14:11:49Z","month":"04","oa_version":"Preprint","oa":1,"article_type":"letter_note","doi":"10.1021/nl5010702","article_processing_charge":"No","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"}],"_id":"17985","external_id":{"arxiv":["1411.5463"],"pmid":["24745894"]},"publication_status":"published","publisher":"American Chemical Society","author":[{"last_name":"Xia","first_name":"Jianlong","full_name":"Xia, Jianlong"},{"last_name":"Capozzi","full_name":"Capozzi, Brian","first_name":"Brian"},{"full_name":"Wei, Sujun","first_name":"Sujun","last_name":"Wei"},{"last_name":"Strange","first_name":"Mikkel","full_name":"Strange, Mikkel"},{"first_name":"Arunabh","full_name":"Batra, Arunabh","last_name":"Batra"},{"last_name":"Moreno","first_name":"Jose R.","full_name":"Moreno, Jose R."},{"last_name":"Amir","first_name":"Roey J.","full_name":"Amir, Roey J."},{"last_name":"Amir","first_name":"Elizabeth","full_name":"Amir, Elizabeth"},{"full_name":"Solomon, Gemma C.","first_name":"Gemma C.","last_name":"Solomon"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","first_name":"Latha","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089"},{"last_name":"Campos","first_name":"Luis M.","full_name":"Campos, Luis M."}],"extern":"1","day":"18"},{"year":"2014","issue":"4","type":"journal_article","title":"Evaluating atomic components in fluorene wires","publication":"Chemical Science","language":[{"iso":"eng"}],"quality_controlled":"1","scopus_import":"1","date_created":"2024-09-09T11:22:09Z","volume":5,"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"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>.","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>","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).","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.","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>.","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>","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."},"publication_identifier":{"issn":["2041-6520"],"eissn":["2041-6539"]},"intvolume":"         5","article_number":"1561","date_published":"2014-02-12T00:00:00Z","day":"12","extern":"1","publisher":"Royal Society of Chemistry","publication_status":"published","_id":"17986","author":[{"full_name":"Klausen, R. S.","first_name":"R. S.","last_name":"Klausen"},{"first_name":"J. R.","full_name":"Widawsky, J. R.","last_name":"Widawsky"},{"full_name":"Su, T. A.","first_name":"T. A.","last_name":"Su"},{"last_name":"Li","first_name":"H.","full_name":"Li, H."},{"last_name":"Chen","first_name":"Q.","full_name":"Chen, Q."},{"first_name":"M. L.","full_name":"Steigerwald, M. L.","last_name":"Steigerwald"},{"last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","first_name":"Latha"},{"last_name":"Nuckolls","first_name":"C.","full_name":"Nuckolls, C."}],"article_processing_charge":"No","abstract":[{"lang":"eng","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."}],"doi":"10.1039/c4sc00064a","article_type":"original","oa_version":"None","month":"02","date_updated":"2025-01-02T14:13:40Z","OA_type":"closed access"},{"day":"02","external_id":{"pmid":["24490721"]},"_id":"17987","publication_status":"published","publisher":"American Chemical Society","author":[{"last_name":"Capozzi","full_name":"Capozzi, Brian","first_name":"Brian"},{"last_name":"Chen","first_name":"Qishui","full_name":"Chen, Qishui"},{"last_name":"Darancet","first_name":"Pierre","full_name":"Darancet, Pierre"},{"full_name":"Kotiuga, Michele","first_name":"Michele","last_name":"Kotiuga"},{"first_name":"Marisa","full_name":"Buzzeo, Marisa","last_name":"Buzzeo"},{"last_name":"Neaton","full_name":"Neaton, Jeffrey B.","first_name":"Jeffrey B."},{"last_name":"Nuckolls","first_name":"Colin","full_name":"Nuckolls, Colin"},{"orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","first_name":"Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}],"extern":"1","doi":"10.1021/nl404459q","abstract":[{"lang":"eng","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."}],"article_processing_charge":"No","month":"02","date_updated":"2025-01-02T14:15:49Z","OA_type":"closed access","article_type":"letter_note","oa_version":"None","quality_controlled":"1","scopus_import":"1","date_created":"2024-09-09T11:24:14Z","status":"public","volume":14,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"short":"B. Capozzi, Q. Chen, P. Darancet, M. Kotiuga, M. Buzzeo, J.B. Neaton, C. Nuckolls, L. Venkataraman, Nano Letters 14 (2014) 1400–1404.","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>.","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>","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>","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.","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>."},"pmid":1,"issue":"3","year":"2014","type":"journal_article","publication":"Nano Letters","title":"Tunable charge transport in single-molecule junctions via electrolytic gating","language":[{"iso":"eng"}],"intvolume":"        14","date_published":"2014-02-02T00:00:00Z","page":"1400-1404","publication_identifier":{"eissn":["1530-6992"],"issn":["1530-6984"]}},{"volume":14,"status":"public","citation":{"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.","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>","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>.","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.","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>","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>."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","quality_controlled":"1","date_created":"2024-09-09T11:24:55Z","title":"Determination of energy level alignment and coupling strength in 4,4′-bipyridine single-molecule junctions","publication":"Nano Letters","language":[{"iso":"eng"}],"pmid":1,"year":"2014","type":"journal_article","issue":"2","date_published":"2014-01-21T00:00:00Z","page":"794-798","intvolume":"        14","publication_identifier":{"eissn":["1530-6992"],"issn":["1530-6984"]},"article_processing_charge":"No","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"}],"doi":"10.1021/nl404143v","day":"21","extern":"1","_id":"17988","author":[{"first_name":"Taekyeong","full_name":"Kim, Taekyeong","last_name":"Kim"},{"first_name":"Pierre","full_name":"Darancet, Pierre","last_name":"Darancet"},{"first_name":"Jonathan R.","full_name":"Widawsky, Jonathan R.","last_name":"Widawsky"},{"first_name":"Michele","full_name":"Kotiuga, Michele","last_name":"Kotiuga"},{"last_name":"Quek","full_name":"Quek, Su Ying","first_name":"Su Ying"},{"last_name":"Neaton","first_name":"Jeffrey B.","full_name":"Neaton, Jeffrey B."},{"full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman"}],"publication_status":"published","external_id":{"pmid":["24446585"]},"publisher":"American Chemical Society","OA_type":"closed access","month":"01","date_updated":"2025-01-03T07:44:13Z","oa_version":"None","article_type":"letter_note"}]