期刊
CHEMICAL SCIENCE
卷 10, 期 43, 页码 9998-10002出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9sc03760h
关键词
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资金
- National Science Foundation [CHE-1764256]
- Professional Staff Congress of the City University of New York (PSC-CUNY) Research Award Program (PSC-CUNY Award) [60261-00 48]
- CUNY Research Scholars Program
- US Department of Education Minority Science and Engineering Improvement Program [P120A140057]
- National Institute of Health Bridges [5R25GM065096]
- German Research Foundation through the Collaborative Research Center
We demonstrate that imidazole based pi-pi 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 pi-pi 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 pi-stacked molecule junctions at room temperature.
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