Electronic transport in single molecules
Electronic transport in single molecules
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DOI：
10.1016/s0301-0104(02)00530-x
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发表时间：
2002-08-01
期刊：
影响因子：
2.3
通讯作者：
Pantelides, ST
中科院分区：
文献类型：
--
作者：
Di Ventra, M;Lang, ND;Pantelides, ST
我们使用密度泛函理论对单分子非线性输运特性的最新结果进行了综述。特别是，我们研究了接触化学和几何形状、电流感应力以及栅极场引起的极化效应对可进行实验的分子电流-电压特性的影响。结果表明，如果适当定制，单分子具有可用于电子应用的物理特性。 (C) 2002 Elsevier Science B.V. 保留所有权利。
We present a review of recent results on the non-linear transport properties of single molecules using density-functional theory. In particular, we investigate the role of contact chemistry and geometry, current-induced forces, and polarization effects induced by a gate field on the current-voltage characteristics of molecules for which experiments are available. The results show that single molecules, if appropriately tailored, have physical properties that could be useful in electronic applications. (C) 2002 Elsevier Science B.V. All rights reserved.