{"scopus_import":"1","main_file_link":[{"url":"https://doi.org/10.1039/C9SC03760H","open_access":"1"}],"article_type":"original","publication_status":"published","doi":"10.1039/c9sc03760h","title":"Enhanced coupling through π-stacking in imidazole-based molecular junctions","quality_controlled":"1","intvolume":"        10","issue":"43","article_processing_charge":"Yes","oa_version":"Published Version","volume":10,"publisher":"Royal Society of Chemistry","publication_identifier":{"issn":["2041-6520"],"eissn":["2041-6539"]},"language":[{"iso":"eng"}],"author":[{"full_name":"Fu, Tianren","last_name":"Fu","first_name":"Tianren"},{"full_name":"Smith, Shanelle","first_name":"Shanelle","last_name":"Smith"},{"last_name":"Camarasa-Gómez","first_name":"María","full_name":"Camarasa-Gómez, María"},{"last_name":"Yu","first_name":"Xiaofang","full_name":"Yu, Xiaofang"},{"full_name":"Xue, Jiayi","first_name":"Jiayi","last_name":"Xue"},{"full_name":"Nuckolls, Colin","last_name":"Nuckolls","first_name":"Colin"},{"last_name":"Evers","first_name":"Ferdinand","full_name":"Evers, Ferdinand"},{"orcid":"0000-0002-6957-6089","last_name":"Venkataraman","first_name":"Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","full_name":"Venkataraman, Latha"},{"first_name":"Sujun","last_name":"Wei","full_name":"Wei, Sujun"}],"OA_type":"gold","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"09","type":"journal_article","license":"https://creativecommons.org/licenses/by-nc/3.0/","status":"public","abstract":[{"lang":"eng","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."}],"pmid":1,"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by-nc/3.0/legalcode","name":"Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)","image":"/images/cc_by_nc.png","short":"CC BY-NC (3.0)"},"day":"16","page":"9998-10002","OA_place":"publisher","DOAJ_listed":"1","external_id":{"pmid":["32055356"]},"date_created":"2024-09-09T07:49:24Z","date_updated":"2024-12-11T08:08:34Z","oa":1,"year":"2019","extern":"1","publication":"Chemical Science","date_published":"2019-09-16T00:00:00Z","_id":"17924","citation":{"mla":"Fu, Tianren, et al. “Enhanced Coupling through π-Stacking in Imidazole-Based Molecular Junctions.” <i>Chemical Science</i>, vol. 10, no. 43, Royal Society of Chemistry, 2019, pp. 9998–10002, doi:<a href=\"https://doi.org/10.1039/c9sc03760h\">10.1039/c9sc03760h</a>.","ama":"Fu T, Smith S, Camarasa-Gómez M, et al. Enhanced coupling through π-stacking in imidazole-based molecular junctions. <i>Chemical Science</i>. 2019;10(43):9998-10002. doi:<a href=\"https://doi.org/10.1039/c9sc03760h\">10.1039/c9sc03760h</a>","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.","ieee":"T. Fu <i>et al.</i>, “Enhanced coupling through π-stacking in imidazole-based molecular junctions,” <i>Chemical Science</i>, vol. 10, no. 43. Royal Society of Chemistry, pp. 9998–10002, 2019.","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. <i>Chemical Science</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/c9sc03760h\">https://doi.org/10.1039/c9sc03760h</a>","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.","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.” <i>Chemical Science</i>. Royal Society of Chemistry, 2019. <a href=\"https://doi.org/10.1039/c9sc03760h\">https://doi.org/10.1039/c9sc03760h</a>."}}