Microscopic study of electrical transport through single molecules with metallic contacts: Organic molecules and finite carbon nanotube

Yongqiang Xue; Mark A. Ratner

Microscopic study of electrical transport through single molecules with metallic contacts: Organic molecules and finite carbon nanotube

Northwestern University

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

We present microscopic study of electronic and transport properties of single molecules sandwiched between two metallic contacts using Green's function based modeling approach within both ab initio and self-consistent semi-empirical framework. The methods are applied to thiol-based organic molecules and finite-size single-wall carbon nanotubes respectively. Results on electrostatics, transmission and current-voltage characteristics are presented.

Original language	English
Title of host publication	Molecular Electronics
Pages	13-18
Number of pages	6
Publication status	Published - Dec 1 2002
Event	2002 MRS Fall Meeting - Boston, MA, United States Duration: Dec 2 2002 → Dec 6 2002

Publication series

Name	Materials Research Society Symposium Proceedings
Volume	761
ISSN (Print)	0272-9172

Other

Other	2002 MRS Fall Meeting
Country	United States
City	Boston, MA
Period	12/2/02 → 12/6/02

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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title = "Microscopic study of electrical transport through single molecules with metallic contacts: Organic molecules and finite carbon nanotube",

abstract = "We present microscopic study of electronic and transport properties of single molecules sandwiched between two metallic contacts using Green's function based modeling approach within both ab initio and self-consistent semi-empirical framework. The methods are applied to thiol-based organic molecules and finite-size single-wall carbon nanotubes respectively. Results on electrostatics, transmission and current-voltage characteristics are presented.",

author = "Yongqiang Xue and Ratner, {Mark A.}",

year = "2002",

month = dec,

day = "1",

language = "English",

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note = "2002 MRS Fall Meeting ; Conference date: 02-12-2002 Through 06-12-2002",

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AU - Ratner, Mark A.

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N2 - We present microscopic study of electronic and transport properties of single molecules sandwiched between two metallic contacts using Green's function based modeling approach within both ab initio and self-consistent semi-empirical framework. The methods are applied to thiol-based organic molecules and finite-size single-wall carbon nanotubes respectively. Results on electrostatics, transmission and current-voltage characteristics are presented.

AB - We present microscopic study of electronic and transport properties of single molecules sandwiched between two metallic contacts using Green's function based modeling approach within both ab initio and self-consistent semi-empirical framework. The methods are applied to thiol-based organic molecules and finite-size single-wall carbon nanotubes respectively. Results on electrostatics, transmission and current-voltage characteristics are presented.

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M3 - Conference contribution

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SN - 1558996982

SN - 9781558996984

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EP - 18

BT - Molecular Electronics

Y2 - 2 December 2002 through 6 December 2002

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