期刊
NANO LETTERS
卷 14, 期 3, 页码 1400-1404出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl404459q
关键词
Electrochemical gating; single-molecule junctions; density functional theory; electronic transport; break-junctions
类别
资金
- NSF DMR
- Alfred P. Sloan Foundation
- Division of Materials Sciences and Engineering (Theory FWP) under Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]
- Center for Re-Defining Photovoltaic Efficiency through Molecular-Scale Control, an Energy Frontier Research Center - U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences [DE-SC0001085]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1206202] Funding Source: National Science Foundation
We modulate the conductance of electrochemically inactive molecules in single-molecule junctions using an electrolytic gate to controllably tune the energy level alignment of the system. Molecular junctions that conduct through their highest occupied molecular orbital show a decrease in conductance when applying a positive electrochemical potential, and those that conduct though their lowest unoccupied molecular orbital show the opposite trend. We fit the experimentally measured conductance data as a function of gate voltage with a Lorentzian function and find the fitting parameters to be in quantitative agreement with self-energy corrected density functional theory calculations of transmission probability across single-molecule junctions. This work shows that electrochemical gating can directly modulate the alignment of the conducting orbital relative to the metal Fermi energy, thereby changing the junction transport properties.
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