Photoinduced electron transfer in conjugated molecules containing different donor in an external electric field

Cong Shen; Qiao Zhou; Meiyu Zhao; Xuemei Lu; Peng Song

doi:10.1016/j.saa.2018.10.026

Photoinduced electron transfer in conjugated molecules containing different donor in an external electric field

Cong Shen
, Qiao Zhou
, Meiyu Zhao
, Xuemei Lu^*
, Peng Song

^*Corresponding author for this work

Liaoning University
Jilin University
School of Chemistry and Chemical Engineering, Harbin Institute of Technology
CAS - Dalian Institute of Chemical Physics

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

Photoinduced electron transfers in different conjugated donor polymer containing with PC₆₀BM as the acceptor (X3:PC₆₀BM and X6:PC₆₀BM) were theoretically investigated. A detailed theoretical analysis of Marcus electron transfer rate in an external electric field was also performed. By discussing the effect of electric field on ΔG, λ, V_DA and charge separation rate, we have come to some conclusions. The results reveal that the free energy change and electronic coupling matrix are significantly influence by the vector properties of external electric field. Thus, the electron transfer process appears critically influenced by external electric fields. Our results will provide meaningful information on enhancing the photoelectric conversion efficiencies of BHJ solar cells.

Original language	English
Pages (from-to)	294-298
Number of pages	5
Journal	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume	208
DOIs	https://doi.org/10.1016/j.saa.2018.10.026
State	Published - 5 Feb 2019
Externally published	Yes

Keywords

Charge recombination
Charge separation
Conjugated molecules
External electric field

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10.1016/j.saa.2018.10.026

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@article{cccc2b0e65a8488bb18b74f3d09affcd,

title = "Photoinduced electron transfer in conjugated molecules containing different donor in an external electric field",

abstract = "Photoinduced electron transfers in different conjugated donor polymer containing with PC60BM as the acceptor (X3:PC60BM and X6:PC60BM) were theoretically investigated. A detailed theoretical analysis of Marcus electron transfer rate in an external electric field was also performed. By discussing the effect of electric field on ΔG, λ, VDA and charge separation rate, we have come to some conclusions. The results reveal that the free energy change and electronic coupling matrix are significantly influence by the vector properties of external electric field. Thus, the electron transfer process appears critically influenced by external electric fields. Our results will provide meaningful information on enhancing the photoelectric conversion efficiencies of BHJ solar cells.",

keywords = "Charge recombination, Charge separation, Conjugated molecules, External electric field",

author = "Cong Shen and Qiao Zhou and Meiyu Zhao and Xuemei Lu and Peng Song",

note = "Publisher Copyright: {\textcopyright} 2018",

year = "2019",

month = feb,

day = "5",

doi = "10.1016/j.saa.2018.10.026",

language = "英语",

volume = "208",

pages = "294--298",

journal = "Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy",

issn = "1386-1425",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Photoinduced electron transfer in conjugated molecules containing different donor in an external electric field

AU - Shen, Cong

AU - Zhou, Qiao

AU - Zhao, Meiyu

AU - Lu, Xuemei

AU - Song, Peng

PY - 2019/2/5

Y1 - 2019/2/5

N2 - Photoinduced electron transfers in different conjugated donor polymer containing with PC60BM as the acceptor (X3:PC60BM and X6:PC60BM) were theoretically investigated. A detailed theoretical analysis of Marcus electron transfer rate in an external electric field was also performed. By discussing the effect of electric field on ΔG, λ, VDA and charge separation rate, we have come to some conclusions. The results reveal that the free energy change and electronic coupling matrix are significantly influence by the vector properties of external electric field. Thus, the electron transfer process appears critically influenced by external electric fields. Our results will provide meaningful information on enhancing the photoelectric conversion efficiencies of BHJ solar cells.

AB - Photoinduced electron transfers in different conjugated donor polymer containing with PC60BM as the acceptor (X3:PC60BM and X6:PC60BM) were theoretically investigated. A detailed theoretical analysis of Marcus electron transfer rate in an external electric field was also performed. By discussing the effect of electric field on ΔG, λ, VDA and charge separation rate, we have come to some conclusions. The results reveal that the free energy change and electronic coupling matrix are significantly influence by the vector properties of external electric field. Thus, the electron transfer process appears critically influenced by external electric fields. Our results will provide meaningful information on enhancing the photoelectric conversion efficiencies of BHJ solar cells.

KW - Charge recombination

KW - Charge separation

KW - Conjugated molecules

KW - External electric field

UR - https://www.scopus.com/pages/publications/85054919173

U2 - 10.1016/j.saa.2018.10.026

DO - 10.1016/j.saa.2018.10.026

M3 - 文章

C2 - 30340209

AN - SCOPUS:85054919173

SN - 1386-1425

VL - 208

SP - 294

EP - 298

JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

ER -

Photoinduced electron transfer in conjugated molecules containing different donor in an external electric field

Abstract

Keywords

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