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

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 conta...

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Veröffentlicht in:	Chemical science (Cambridge) 2019-11, Vol.1 (43), p.9998-12
Hauptverfasser:	Fu, Tianren, Smith, Shanelle, Camarasa-Gómez, María, Yu, Xiaofang, Xue, Jiayi, Nuckolls, Colin, Evers, Ferdinand, Venkataraman, Latha, Wei, Sujun
Format:	Artikel
Sprache:	eng
Schlagworte:	Alkanes Chemistry Coupling (molecular) Density functional theory Dimers Electron transport Green's functions Imidazole Mathematical analysis Resistance Room temperature
Online-Zugang:	Volltext
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