Electronic structure of organic photovoltaic materials: Modeling of exciton-dissociation and charge-recombination processes

Jérôme Cornil; Vincent Lemaur; Michelle C. Steel; Hélène Dupin; Annick Burquel; David Beljonne; Jean Luc Brédas

doi:10.1201/9781420026351

Electronic structure of organic photovoltaic materials: Modeling of exciton-dissociation and charge-recombination processes

Jérôme Cornil, Vincent Lemaur, Michelle C. Steel, Hélène Dupin, Annick Burquel, David Beljonne, Jean Luc Brédas

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

1 Scopus citations

Abstract

In this chapter, we describe at the quantum-chemical level, the main parameters governing the exciton-dissociation and charge-recombination processes that determine the efficiency of organic photovoltaic materials.Wetake as example a blend made of phthalocyanine as the electron donor and perylene bisimide as the acceptor. On the basis of the theoretical results, various strategies are discussed in order to increase the number of generated charge carriers in organic blends.

Original language	English (US)
Title of host publication	Organic Photovoltaics
Subtitle of host publication	Mechanisms, Materials, and Devices
Publisher	CRC Press
Pages	161-182
Number of pages	22
ISBN (Electronic)	9781420026351
ISBN (Print)	082475963X, 9780824759636
DOIs	https://doi.org/10.1201/9781420026351
State	Published - Jan 1 2017
Externally published	Yes

Keywords

Charge recombination
Driving force
Electron-transfer theory
Electronic coupling
Exciton dissociation
Marcus theory
Organic conjugated materials
Organic photovoltaics
Photoinduced electron-transfer
Quantum-chemical calculations
Reorganization energy
Weller equation

ASJC Scopus subject areas

General Engineering
General Environmental Science

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10.1201/9781420026351

Cite this

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title = "Electronic structure of organic photovoltaic materials: Modeling of exciton-dissociation and charge-recombination processes",

abstract = "In this chapter, we describe at the quantum-chemical level, the main parameters governing the exciton-dissociation and charge-recombination processes that determine the efficiency of organic photovoltaic materials.Wetake as example a blend made of phthalocyanine as the electron donor and perylene bisimide as the acceptor. On the basis of the theoretical results, various strategies are discussed in order to increase the number of generated charge carriers in organic blends.",

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T2 - Modeling of exciton-dissociation and charge-recombination processes

AU - Cornil, Jérôme

AU - Lemaur, Vincent

AU - Steel, Michelle C.

AU - Dupin, Hélène

AU - Burquel, Annick

AU - Beljonne, David

AU - Brédas, Jean Luc

PY - 2017/1/1

Y1 - 2017/1/1

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AB - In this chapter, we describe at the quantum-chemical level, the main parameters governing the exciton-dissociation and charge-recombination processes that determine the efficiency of organic photovoltaic materials.Wetake as example a blend made of phthalocyanine as the electron donor and perylene bisimide as the acceptor. On the basis of the theoretical results, various strategies are discussed in order to increase the number of generated charge carriers in organic blends.

KW - Charge recombination

KW - Driving force

KW - Electron-transfer theory

KW - Electronic coupling

KW - Exciton dissociation

KW - Marcus theory

KW - Organic conjugated materials

KW - Organic photovoltaics

KW - Photoinduced electron-transfer

KW - Quantum-chemical calculations

KW - Reorganization energy

KW - Weller equation

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BT - Organic Photovoltaics

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ER -

Electronic structure of organic photovoltaic materials: Modeling of exciton-dissociation and charge-recombination processes

Abstract

Keywords

ASJC Scopus subject areas

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