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

Yongqiang Xue^*, Mark A. Ratner

^*Corresponding author for this work

Chemistry

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 (US)
Title of host publication	Molecular Electronics
Pages	13-18
Number of pages	6
Volume	761
State	Published - Dec 1 2002
Event	2002 MRS Fall Meeting - Boston, MA, United States Duration: Dec 2 2002 → Dec 6 2002

Other

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

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Cite this

@inproceedings{128f3a2b1a9f485da422393355c836bc,

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 (US)",

isbn = "1558996982",

volume = "761",

pages = "13--18",

booktitle = "Molecular Electronics",

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

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TY - GEN

T1 - Microscopic study of electrical transport through single molecules with metallic contacts

T2 - 2002 MRS Fall Meeting

AU - Xue, Yongqiang

AU - Ratner, Mark A.

PY - 2002/12/1

Y1 - 2002/12/1

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.

UR - http://www.scopus.com/inward/record.url?scp=34249883564&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34249883564&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:34249883564

SN - 1558996982

SN - 9781558996984

VL - 761

SP - 13

EP - 18

BT - Molecular Electronics

Y2 - 2 December 2002 through 6 December 2002

ER -

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

Abstract

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ASJC Scopus subject areas

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