Lateral electron transport in monolayers of short chains at interfaces: A Monte Carlo study

Christopher B. George, Igal Szleifer, Mark A Ratner

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Using Monte Carlo simulations, we study lateral electronic diffusion in dense monolayers composed of a mixture of redox-active and redox-passive chains tethered to a surface. Two charge transport mechanisms are considered: the physical diffusion of electroactive chains and electron hopping between redox-active sites. Results indicate that by varying the monolayer density, the mole fraction of electroactive chains, and the electron hopping range, the dominant charge transport mechanism can be changed. For high density monolayers in a semi-crystalline phase, electron diffusion proceeds via electron hopping almost exclusively, leading to static percolation behavior. In fluid monolayers, the diffusion of chains may contribute more to the overall electronic diffusion, reducing the observed static percolation effects.

Original languageEnglish
Pages (from-to)503-507
Number of pages5
JournalChemical Physics
Volume375
Issue number2-3
DOIs
Publication statusPublished - Oct 5 2010

Fingerprint

Monolayers
Electrons
electrons
Charge transfer
electron diffusion
electronics
Electron Transport
fluids
Crystalline materials
Fluids
simulation
Oxidation-Reduction

Keywords

  • Electron transfer
  • Melting transition
  • Redox-active monolayer
  • Static percolation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Lateral electron transport in monolayers of short chains at interfaces : A Monte Carlo study. / George, Christopher B.; Szleifer, Igal; Ratner, Mark A.

In: Chemical Physics, Vol. 375, No. 2-3, 05.10.2010, p. 503-507.

Research output: Contribution to journalArticle

George, Christopher B. ; Szleifer, Igal ; Ratner, Mark A. / Lateral electron transport in monolayers of short chains at interfaces : A Monte Carlo study. In: Chemical Physics. 2010 ; Vol. 375, No. 2-3. pp. 503-507.
@article{214e241a2848413b97491b4ece178de4,
title = "Lateral electron transport in monolayers of short chains at interfaces: A Monte Carlo study",
abstract = "Using Monte Carlo simulations, we study lateral electronic diffusion in dense monolayers composed of a mixture of redox-active and redox-passive chains tethered to a surface. Two charge transport mechanisms are considered: the physical diffusion of electroactive chains and electron hopping between redox-active sites. Results indicate that by varying the monolayer density, the mole fraction of electroactive chains, and the electron hopping range, the dominant charge transport mechanism can be changed. For high density monolayers in a semi-crystalline phase, electron diffusion proceeds via electron hopping almost exclusively, leading to static percolation behavior. In fluid monolayers, the diffusion of chains may contribute more to the overall electronic diffusion, reducing the observed static percolation effects.",
keywords = "Electron transfer, Melting transition, Redox-active monolayer, Static percolation",
author = "George, {Christopher B.} and Igal Szleifer and Ratner, {Mark A}",
year = "2010",
month = "10",
day = "5",
doi = "10.1016/j.chemphys.2010.04.041",
language = "English",
volume = "375",
pages = "503--507",
journal = "Chemical Physics",
issn = "0301-0104",
publisher = "Elsevier",
number = "2-3",

}

TY - JOUR

T1 - Lateral electron transport in monolayers of short chains at interfaces

T2 - A Monte Carlo study

AU - George, Christopher B.

AU - Szleifer, Igal

AU - Ratner, Mark A

PY - 2010/10/5

Y1 - 2010/10/5

N2 - Using Monte Carlo simulations, we study lateral electronic diffusion in dense monolayers composed of a mixture of redox-active and redox-passive chains tethered to a surface. Two charge transport mechanisms are considered: the physical diffusion of electroactive chains and electron hopping between redox-active sites. Results indicate that by varying the monolayer density, the mole fraction of electroactive chains, and the electron hopping range, the dominant charge transport mechanism can be changed. For high density monolayers in a semi-crystalline phase, electron diffusion proceeds via electron hopping almost exclusively, leading to static percolation behavior. In fluid monolayers, the diffusion of chains may contribute more to the overall electronic diffusion, reducing the observed static percolation effects.

AB - Using Monte Carlo simulations, we study lateral electronic diffusion in dense monolayers composed of a mixture of redox-active and redox-passive chains tethered to a surface. Two charge transport mechanisms are considered: the physical diffusion of electroactive chains and electron hopping between redox-active sites. Results indicate that by varying the monolayer density, the mole fraction of electroactive chains, and the electron hopping range, the dominant charge transport mechanism can be changed. For high density monolayers in a semi-crystalline phase, electron diffusion proceeds via electron hopping almost exclusively, leading to static percolation behavior. In fluid monolayers, the diffusion of chains may contribute more to the overall electronic diffusion, reducing the observed static percolation effects.

KW - Electron transfer

KW - Melting transition

KW - Redox-active monolayer

KW - Static percolation

UR - http://www.scopus.com/inward/record.url?scp=77957753870&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77957753870&partnerID=8YFLogxK

U2 - 10.1016/j.chemphys.2010.04.041

DO - 10.1016/j.chemphys.2010.04.041

M3 - Article

AN - SCOPUS:77957753870

VL - 375

SP - 503

EP - 507

JO - Chemical Physics

JF - Chemical Physics

SN - 0301-0104

IS - 2-3

ER -