{"oa_version":"Published Version","pmid":1,"citation":{"ista":"Fu T, Smith S, Camarasa-Gómez M, Yu X, Xue J, Nuckolls C, Evers F, Venkataraman L, Wei S. 2019. Enhanced coupling through π-stacking in imidazole-based molecular junctions. Chemical Science. 10(43), 9998–10002.","apa":"Fu, T., Smith, S., Camarasa-Gómez, M., Yu, X., Xue, J., Nuckolls, C., … Wei, S. (2019). Enhanced coupling through π-stacking in imidazole-based molecular junctions. Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/c9sc03760h","short":"T. Fu, S. Smith, M. Camarasa-Gómez, X. Yu, J. Xue, C. Nuckolls, F. Evers, L. Venkataraman, S. Wei, Chemical Science 10 (2019) 9998–10002.","ieee":"T. Fu et al., “Enhanced coupling through π-stacking in imidazole-based molecular junctions,” Chemical Science, vol. 10, no. 43. Royal Society of Chemistry, pp. 9998–10002, 2019.","chicago":"Fu, Tianren, Shanelle Smith, María Camarasa-Gómez, Xiaofang Yu, Jiayi Xue, Colin Nuckolls, Ferdinand Evers, Latha Venkataraman, and Sujun Wei. “Enhanced Coupling through π-Stacking in Imidazole-Based Molecular Junctions.” Chemical Science. Royal Society of Chemistry, 2019. https://doi.org/10.1039/c9sc03760h.","ama":"Fu T, Smith S, Camarasa-Gómez M, et al. Enhanced coupling through π-stacking in imidazole-based molecular junctions. Chemical Science. 2019;10(43):9998-10002. doi:10.1039/c9sc03760h","mla":"Fu, Tianren, et al. “Enhanced Coupling through π-Stacking in Imidazole-Based Molecular Junctions.” Chemical Science, vol. 10, no. 43, Royal Society of Chemistry, 2019, pp. 9998–10002, doi:10.1039/c9sc03760h."},"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1039/C9SC03760H"}],"article_type":"original","date_created":"2024-09-09T07:49:24Z","intvolume":" 10","issue":"43","_id":"17924","status":"public","quality_controlled":"1","DOAJ_listed":"1","page":"9998-10002","OA_place":"publisher","date_published":"2019-09-16T00:00:00Z","type":"journal_article","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","day":"16","title":"Enhanced coupling through π-stacking in imidazole-based molecular junctions","month":"09","date_updated":"2024-12-11T08:08:34Z","license":"https://creativecommons.org/licenses/by-nc/3.0/","publication":"Chemical Science","year":"2019","language":[{"iso":"eng"}],"external_id":{"pmid":["32055356"]},"extern":"1","oa":1,"author":[{"last_name":"Fu","first_name":"Tianren","full_name":"Fu, Tianren"},{"last_name":"Smith","full_name":"Smith, Shanelle","first_name":"Shanelle"},{"first_name":"María","full_name":"Camarasa-Gómez, María","last_name":"Camarasa-Gómez"},{"last_name":"Yu","first_name":"Xiaofang","full_name":"Yu, Xiaofang"},{"first_name":"Jiayi","full_name":"Xue, Jiayi","last_name":"Xue"},{"last_name":"Nuckolls","full_name":"Nuckolls, Colin","first_name":"Colin"},{"last_name":"Evers","full_name":"Evers, Ferdinand","first_name":"Ferdinand"},{"full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","first_name":"Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"},{"first_name":"Sujun","full_name":"Wei, Sujun","last_name":"Wei"}],"article_processing_charge":"Yes","scopus_import":"1","OA_type":"gold","abstract":[{"text":"We demonstrate that imidazole based π–π stacked dimers form strong and efficient conductance pathways in single-molecule junctions using the scanning-tunneling microscope-break junction (STM-BJ) technique and density functional theory-based calculations. We first characterize an imidazole-gold contact by measuring the conductance of imidazolyl-terminated alkanes (im-N-im, N = 3–6). We show that the conductance of these alkanes decays exponentially with increasing length, indicating that the mechanism for electron transport is through tunneling or super-exchange. We also reveal that π–π stacked dimers can be formed between imidazoles and have better coupling than through-bond tunneling. These experimental results are rationalized by calculations of molecular junction transmission using non-equilibrium Green's function formalism. This study verifies the capability of imidazole as a Au-binding ligand to form stable single- and π-stacked molecule junctions at room temperature.","lang":"eng"}],"doi":"10.1039/c9sc03760h","publication_identifier":{"eissn":["2041-6539"],"issn":["2041-6520"]},"publisher":"Royal Society of Chemistry","tmp":{"image":"/images/cc_by_nc.png","name":"Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)","short":"CC BY-NC (3.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/3.0/legalcode"},"volume":10,"publication_status":"published"}