Distributed response analysis of conductive behavior in single molecules

被引:3
作者
Panhuis, MIH [1 ]
Munn, RW
Popelier, PLA
Coleman, JN
Foley, B
Blau, WJ
机构
[1] Univ Dublin Trinity Coll, Mat Ireland Polymer Res Ctr, Dept Phys, Dublin 2, Ireland
[2] Univ Manchester, Inst Sci & Technol, Dept Chem, Manchester M60 1QD, Lancs, England
[3] Univ Dublin Trinity Coll, Dept Elect & Elect Engn, Dublin 2, Ireland
关键词
D O I
10.1073/pnas.092512499
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
The ab initio computational approach of distributed response analysis is used to quantify how electrons move across conjugated molecules in an electric field, in analogy to conduction. The method promises to be valuable for characterizing the conductive behavior of single molecules in electronic devices.
引用
收藏
页码:6514 / 6517
页数:4
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