Distributed response analysis of conductive behavior in single molecules

Marc In Het Panhuis; Robert W. Munn; Paul L A Popelier; Jonathan N. Coleman; Brian Foley; Werner J. Blau

doi:10.1073/pnas.092512499

Distributed response analysis of conductive behavior in single molecules

Marc In Het Panhuis, Robert W. Munn, Paul L A Popelier, Jonathan N. Coleman, Brian Foley, Werner J. Blau

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	6514-6517
Number of pages	3
Journal	Proceedings of the National Academy of Sciences of the United States of America
Volume	99
Issue number	2
DOIs	https://doi.org/10.1073/pnas.092512499
Publication status	Published - 30 Apr 2002

Keywords

Electric conductivity; Field effect transistors; Molecules; Polarizability (distributed response anal. of conductive behavior in single mols.)

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10.1073/pnas.092512499

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title = "Distributed response analysis of conductive behavior in single molecules",

abstract = "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.",

keywords = "Electric conductivity; Field effect transistors; Molecules; Polarizability (distributed response anal. of conductive behavior in single mols.)",

author = "{In Het Panhuis}, Marc and Munn, {Robert W.} and Popelier, {Paul L A} and Coleman, {Jonathan N.} and Brian Foley and Blau, {Werner J.}",

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AU - In Het Panhuis, Marc

AU - Munn, Robert W.

AU - Popelier, Paul L A

AU - Coleman, Jonathan N.

AU - Foley, Brian

AU - Blau, Werner J.

N1 - Times Cited: 0

PY - 2002/4/30

Y1 - 2002/4/30

N2 - 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.

AB - 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.

KW - Electric conductivity; Field effect transistors; Molecules; Polarizability (distributed response anal. of conductive behavior in single mols.)

U2 - 10.1073/pnas.092512499

DO - 10.1073/pnas.092512499

M3 - Article

SN - 0027-8424

VL - 99

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JO - Proceedings of the National Academy of Sciences of the United States of America

JF - Proceedings of the National Academy of Sciences of the United States of America

IS - 2

ER -

Distributed response analysis of conductive behavior in single molecules

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