Fluctuation in Interface and Electronic Structure of Single-Molecule Junctions Investigated by Current versus Bias Voltage Characteristics

Journal of the American Chemical Society
Yuji IsshikiManabu Kiguchi

Abstract

Structural and electronic detail at the metal-molecule interface has a significant impact on the charge transport across the molecular junctions, but its precise understanding and control still remain elusive. On the single-molecule scale, the metal-molecule interface structures and relevant charge transport properties are subject to fluctuation, which contain the fundamental science of single-molecule transport and implication for manipulability of the transport properties in electronic devices. Here, we present a comprehensive approach to investigate the fluctuation in the metal-molecule interface in single-molecule junctions, based on current-voltage ( I- V) measurements in combination with first-principles simulation. Contrary to conventional molecular conductance studies, this I- V approach provides a correlated statistical description of both the degree of electronic coupling across the metal-molecule interface and the molecular orbital energy level. This statistical approach was employed to study fluctuation in single-molecule junctions of 1,4-butanediamine (DAB), pyrazine (PY), 4,4'-bipyridine (BPY), and fullerene (C60). We demonstrate that molecular-dependent fluctuation of σ-, π-, and π-plane-type interfaces can be ca...Continue Reading

Citations

Jun 1, 2019·Physical Chemistry Chemical Physics : PCCP·Shintaro FujiiManabu Kiguchi
May 28, 2019·Physical Chemistry Chemical Physics : PCCP·S KobayashiM Kiguchi
May 13, 2021·Nature Communications·Tsubasa SasakiHirohiko Fukagawa
Nov 2, 2019·Journal of the American Chemical Society·Shintaro FujiiManabu Kiguchi
Nov 3, 2020·Journal of the American Chemical Society·Yongxiang TangWenjing Hong
Oct 26, 2021·ACS Applied Materials & Interfaces·Koji YasuraokaTomoaki Nishino

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