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Enhanced coupling through π-stacking in imidazole-based molecular junctions

Fu, Tianren ; Smith, Shanelle ; Camarasa-Gómez, María ; Yu, Xiaofang ; Xue, Jiayi ; Nuckolls, Colin ; Evers, Ferdinand ; Venkataraman, Latha ; Wei, Sujun


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 ...


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