Exciton transfer of azobenzene derivatives in self-assembled monolayers

Enrico Benassi, Stefano Corni

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Diphenyl-diazene and its derivative bis[(1,1′)-biphenyl-4-yl]diazene were found to have innovative technological applications when arranged in self-assembled monolayers (SAMs). This is due to their switching capability after photoisomerization that is preserved also when they are in a close-packed assembly over the metal surface forming SAMs. One of the possible phenomena that may hinder the photoisomerization process is the intermolecular excitonic transfer. Understanding this possibility is therefore of the utmost importance. For doing so, we tackled a quantum mechanical (QM) study that begins from the exploration of the electronic excited state properties of a single molecule, to the intermolecular exciton couplings computed at different theory levels, until the excitonic diffusion dynamics, evaluated both within a frozen SAM portion and as an average along a molecular dynamics (MD) simulation.

Original languageEnglish
Pages (from-to)25026-25041
Number of pages16
JournalJournal of Physical Chemistry C
Volume117
Issue number47
DOIs
Publication statusPublished - 27 Nov 2013
Externally publishedYes

Fingerprint

Azobenzene
Self assembled monolayers
Excitons
metal surfaces
Photoisomerization
assembly
excitons
molecular dynamics
Derivatives
electronics
excitation
molecules
simulation
Excited states
Molecular dynamics
Metals
Molecules
Computer simulation
azobenzene
LDS 751

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Exciton transfer of azobenzene derivatives in self-assembled monolayers. / Benassi, Enrico; Corni, Stefano.

In: Journal of Physical Chemistry C, Vol. 117, No. 47, 27.11.2013, p. 25026-25041.

Research output: Contribution to journalArticle

@article{75976266a8fb4fc29ac6ff4787447359,
title = "Exciton transfer of azobenzene derivatives in self-assembled monolayers",
abstract = "Diphenyl-diazene and its derivative bis[(1,1′)-biphenyl-4-yl]diazene were found to have innovative technological applications when arranged in self-assembled monolayers (SAMs). This is due to their switching capability after photoisomerization that is preserved also when they are in a close-packed assembly over the metal surface forming SAMs. One of the possible phenomena that may hinder the photoisomerization process is the intermolecular excitonic transfer. Understanding this possibility is therefore of the utmost importance. For doing so, we tackled a quantum mechanical (QM) study that begins from the exploration of the electronic excited state properties of a single molecule, to the intermolecular exciton couplings computed at different theory levels, until the excitonic diffusion dynamics, evaluated both within a frozen SAM portion and as an average along a molecular dynamics (MD) simulation.",
author = "Enrico Benassi and Stefano Corni",
year = "2013",
month = "11",
day = "27",
doi = "10.1021/jp405077w",
language = "English",
volume = "117",
pages = "25026--25041",
journal = "Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "47",

}

TY - JOUR

T1 - Exciton transfer of azobenzene derivatives in self-assembled monolayers

AU - Benassi, Enrico

AU - Corni, Stefano

PY - 2013/11/27

Y1 - 2013/11/27

N2 - Diphenyl-diazene and its derivative bis[(1,1′)-biphenyl-4-yl]diazene were found to have innovative technological applications when arranged in self-assembled monolayers (SAMs). This is due to their switching capability after photoisomerization that is preserved also when they are in a close-packed assembly over the metal surface forming SAMs. One of the possible phenomena that may hinder the photoisomerization process is the intermolecular excitonic transfer. Understanding this possibility is therefore of the utmost importance. For doing so, we tackled a quantum mechanical (QM) study that begins from the exploration of the electronic excited state properties of a single molecule, to the intermolecular exciton couplings computed at different theory levels, until the excitonic diffusion dynamics, evaluated both within a frozen SAM portion and as an average along a molecular dynamics (MD) simulation.

AB - Diphenyl-diazene and its derivative bis[(1,1′)-biphenyl-4-yl]diazene were found to have innovative technological applications when arranged in self-assembled monolayers (SAMs). This is due to their switching capability after photoisomerization that is preserved also when they are in a close-packed assembly over the metal surface forming SAMs. One of the possible phenomena that may hinder the photoisomerization process is the intermolecular excitonic transfer. Understanding this possibility is therefore of the utmost importance. For doing so, we tackled a quantum mechanical (QM) study that begins from the exploration of the electronic excited state properties of a single molecule, to the intermolecular exciton couplings computed at different theory levels, until the excitonic diffusion dynamics, evaluated both within a frozen SAM portion and as an average along a molecular dynamics (MD) simulation.

UR - http://www.scopus.com/inward/record.url?scp=84889774913&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84889774913&partnerID=8YFLogxK

U2 - 10.1021/jp405077w

DO - 10.1021/jp405077w

M3 - Article

AN - SCOPUS:84889774913

VL - 117

SP - 25026

EP - 25041

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 47

ER -