Influence of electrostatic fields on molecular electronic structure: Insights for interfacial charge transfer

Oliver L A Monti Masel, Mary P. Steele

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

Molecular and interfacial electronic structure at organic semiconductor interfaces shows a rich and subtle dependence on short- and long-range electrostatic interactions. Interface dipoles can be controlled making use of the anisotropic charge distribution at the interface, often with direct consequences also for the molecular electronic structure. In this Perspective, we will discuss the emerging understanding of how local and collective electrostatic effects control energy level alignment and molecular electronic structure at organic semiconductor interfaces and highlight some of the ramifications for interfacial charge-transfer dynamics. Attention is paid to the validity of the underlying assumptions inherent to the classical electrostatic approach.

Original languageEnglish (US)
Pages (from-to)12390-12400
Number of pages11
JournalPhysical Chemistry Chemical Physics
Volume12
Issue number39
DOIs
StatePublished - Oct 21 2010

Fingerprint

Molecular electronics
molecular electronics
Molecular structure
Electronic structure
Charge transfer
Semiconducting organic compounds
charge transfer
Electric fields
electronic structure
electric fields
Electrostatics
organic semiconductors
electrostatics
Charge distribution
Coulomb interactions
Electron energy levels
charge distribution
emerging
energy levels
alignment

ASJC Scopus subject areas

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

Cite this

Influence of electrostatic fields on molecular electronic structure : Insights for interfacial charge transfer. / Monti Masel, Oliver L A; Steele, Mary P.

In: Physical Chemistry Chemical Physics, Vol. 12, No. 39, 21.10.2010, p. 12390-12400.

Research output: Contribution to journalArticle

@article{050315b12dff4209b093c0bde7d708d5,
title = "Influence of electrostatic fields on molecular electronic structure: Insights for interfacial charge transfer",
abstract = "Molecular and interfacial electronic structure at organic semiconductor interfaces shows a rich and subtle dependence on short- and long-range electrostatic interactions. Interface dipoles can be controlled making use of the anisotropic charge distribution at the interface, often with direct consequences also for the molecular electronic structure. In this Perspective, we will discuss the emerging understanding of how local and collective electrostatic effects control energy level alignment and molecular electronic structure at organic semiconductor interfaces and highlight some of the ramifications for interfacial charge-transfer dynamics. Attention is paid to the validity of the underlying assumptions inherent to the classical electrostatic approach.",
author = "{Monti Masel}, {Oliver L A} and Steele, {Mary P.}",
year = "2010",
month = "10",
day = "21",
doi = "10.1039/c0cp01039a",
language = "English (US)",
volume = "12",
pages = "12390--12400",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "39",

}

TY - JOUR

T1 - Influence of electrostatic fields on molecular electronic structure

T2 - Insights for interfacial charge transfer

AU - Monti Masel, Oliver L A

AU - Steele, Mary P.

PY - 2010/10/21

Y1 - 2010/10/21

N2 - Molecular and interfacial electronic structure at organic semiconductor interfaces shows a rich and subtle dependence on short- and long-range electrostatic interactions. Interface dipoles can be controlled making use of the anisotropic charge distribution at the interface, often with direct consequences also for the molecular electronic structure. In this Perspective, we will discuss the emerging understanding of how local and collective electrostatic effects control energy level alignment and molecular electronic structure at organic semiconductor interfaces and highlight some of the ramifications for interfacial charge-transfer dynamics. Attention is paid to the validity of the underlying assumptions inherent to the classical electrostatic approach.

AB - Molecular and interfacial electronic structure at organic semiconductor interfaces shows a rich and subtle dependence on short- and long-range electrostatic interactions. Interface dipoles can be controlled making use of the anisotropic charge distribution at the interface, often with direct consequences also for the molecular electronic structure. In this Perspective, we will discuss the emerging understanding of how local and collective electrostatic effects control energy level alignment and molecular electronic structure at organic semiconductor interfaces and highlight some of the ramifications for interfacial charge-transfer dynamics. Attention is paid to the validity of the underlying assumptions inherent to the classical electrostatic approach.

UR - http://www.scopus.com/inward/record.url?scp=77957916964&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77957916964&partnerID=8YFLogxK

U2 - 10.1039/c0cp01039a

DO - 10.1039/c0cp01039a

M3 - Article

C2 - 20714606

AN - SCOPUS:77957916964

VL - 12

SP - 12390

EP - 12400

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 39

ER -