Effect of the Chemical Potentials of Electrodes on Charge Transport across Molecular Junctions
學年 108
學期 1
出版（發表）日期 2019-08-14
作品名稱 Effect of the Chemical Potentials of Electrodes on Charge Transport across Molecular Junctions
作品名稱（其他語言）
著者 Geng-Min Lin; Chih-Hsun Lin; Hao Howard Peng; Han Hsiao; Tsai-Hui Wang; Ching-Hwa Ho; Hsiu-Fu Hsu; Chun-hsien Chen
單位
出版者
著錄名稱、卷期、頁數 The Journal of Physical Chemistry C 123(36), p.22009-22017
摘要 Charge transport across molecular junctions can be described by G = Gcontactexp(−βL), envisioned as sequential propagation through electrode-molecule contacts (Gcontact) and the molecular backbone (exp(−βL)). How Gcontact and exp(−βL) are modulated by the chemical potentials of the electrodes (EF), although essential, remains relatively unexplored because EF is typically driven by the applied Vbias and hence limited to a small range in that a large Vbias introduces complicated transport pathways. Herein, the interrelated EF and Vbias are electrochemically disentangled by fixing Vbias at a small value while potentiostatically positioning the electrode EF in a 1.5 V range. The results show that EF affects Gcontact more pronouncedly than the molecular backbone. For the covalently anchored acetylene-electrode (CC−Au) junctions, the energy level of the frontier molecular orbital (EFMO) is found to shift nonlinearly as EF changes; |EFMO – EF| is independent of EF in the range of −0.25 to 0.00 V (vs EAg/AgCl) and is narrowed by ∼32% at 0.00–0.75 V. These findings are elucidated by the refined Simmons model, Newns-Anderson model, and single-level Breit–Wigner formula and quantitatively shed light on the influence of electrodes on the molecular orbitals (viz., the self-energy, Σ).
關鍵字
語言 en_US
ISSN
期刊性質 國外
收錄於 SCI
產學合作
通訊作者
審稿制度 否
國別 USA
公開徵稿
出版型式 ,電子版
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