期刊
NANO LETTERS
卷 13, 期 12, 页码 6233-6237出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl403698m
关键词
Molecular diode; gold-carbon covalent bonds; single-molecule rectifier; density functional theory
类别
资金
- NSF [CHE-07-44185]
- Packard Foundation
- National Science Foundation [DGE-07-07425]
- 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 [DE-SC0001085]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0744185] Funding Source: National Science Foundation
We demonstrate a new method of achieving rectification in single molecule devices using the high-bias properties of gold carbon bonds. Our design for molecular rectifiers uses a symmetric, conjugated molecular backbone with a single methylsulfide group linking one end to a gold electrode and a covalent gold-carbon bond at the other end. The gold-carbon bond results in a hybrid gold-molecule gateway state pinned close to the Fermi level of one electrode. Through nonequilibrium transport calculations, we show that the energy of this state shifts drastically with applied bias, resulting in rectification at surprisingly low voltages. We use this concept to design and synthesize a family of diodes and demonstrate through single-molecule current-voltage measurements that the rectification ratio can be predictably and efficiently tuned. This result constitutes the first experimental demonstration of a rationally tunable system of single-molecule rectifiers. More generally, the results demonstrate that the high-bias properties of gateway states can be used to provide additional functionality to molecular electronic systems.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据