期刊
NANO LETTERS
卷 20, 期 4, 页码 2843-2848出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.0c00605
关键词
single-molecule junction; molecular electronics; quantum interference; transmission coefficient; Green's function; Huckel model; conductance decay
类别
资金
- NSF Graduate Research Fellowships [DGE-1644869]
- National Science Foundation [DMR-1807580]
Electron transport across a molecular junction is characterized by an energy-dependent transmission function. The transmission function accounts for electrons tunneling through multiple molecular orbitals (MOs) with different phases, which gives rise to quantum interference (QI) effects. Because the transmission function comprises both interfering and noninterfering effects, individual interferences between MOs cannot be deduced from the transmission function directly. Herein, we demonstrate how the transmission function can be deconstructed into its constituent interfering and noninterfering contributions for any model molecular junction. These contributions are arranged in a matrix and displayed pictorially as a QI map, which allows one to easily identify individual QI effects. Importantly, we show that exponential conductance decay with increasing oligomer length is primarily due to an increase in destructive QI. With an ability to see QI effects using the QI map, we find that QI is vital to all molecular-scale electron transport.
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