Charge-transfer state dynamics following hole and electron transfer in organic photovoltaic devices

Artem A. Bakulin; Stoichko D. Dimitrov; Akshay Rao; Philip C.Y. Chow; Christian B. Nielsen; Bob C. Schroeder; Iain McCulloch; Huib J. Bakker; James R. Durrant; Richard H. Friend

doi:10.1021/jz301883y

Charge-transfer state dynamics following hole and electron transfer in organic photovoltaic devices

Artem A. Bakulin^*, Stoichko D. Dimitrov, Akshay Rao, Philip C.Y. Chow, Christian B. Nielsen, Bob C. Schroeder, Iain McCulloch, Huib J. Bakker, James R. Durrant, Richard H. Friend

^*Corresponding author for this work

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

123 Scopus citations

Abstract

The formation of bound electron-hole pairs, also called charge-transfer (CT) states, in organic-based photovoltaic devices is one of the dominant loss mechanisms hindering performance. Whereas CT state dynamics following electron transfer from donor to acceptor have been widely studied, there is not much known about the dynamics of bound CT states produced by hole transfer from the acceptor to the donor. In this letter, we compare the dynamics of CT states formed in the different charge-transfer pathways in a range of model systems. We show that the nature and dynamics of the generated CT states are similar in the case of electron and hole transfer. However the yield of bound and free charges is observed to be strongly dependent on the HOMO_D-HOMO_A and LUMO_D-LUMO_A energy differences of the material system. We propose a qualitative model in which the effects of static disorder and sampling of states during the relaxation determine the probability of accessing CT states favorable for charge separation.

Original language	English (US)
Pages (from-to)	209-215
Number of pages	7
Journal	Journal of Physical Chemistry Letters
Volume	4
Issue number	1
DOIs	https://doi.org/10.1021/jz301883y
State	Published - Jan 3 2013
Externally published	Yes

ASJC Scopus subject areas

General Materials Science
Physical and Theoretical Chemistry

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@article{7e85fffdf0d944849d06035390307c1a,

title = "Charge-transfer state dynamics following hole and electron transfer in organic photovoltaic devices",

abstract = "The formation of bound electron-hole pairs, also called charge-transfer (CT) states, in organic-based photovoltaic devices is one of the dominant loss mechanisms hindering performance. Whereas CT state dynamics following electron transfer from donor to acceptor have been widely studied, there is not much known about the dynamics of bound CT states produced by hole transfer from the acceptor to the donor. In this letter, we compare the dynamics of CT states formed in the different charge-transfer pathways in a range of model systems. We show that the nature and dynamics of the generated CT states are similar in the case of electron and hole transfer. However the yield of bound and free charges is observed to be strongly dependent on the HOMOD-HOMOA and LUMOD-LUMOA energy differences of the material system. We propose a qualitative model in which the effects of static disorder and sampling of states during the relaxation determine the probability of accessing CT states favorable for charge separation.",

author = "Bakulin, {Artem A.} and Dimitrov, {Stoichko D.} and Akshay Rao and Chow, {Philip C.Y.} and Nielsen, {Christian B.} and Schroeder, {Bob C.} and Iain McCulloch and Bakker, {Huib J.} and Durrant, {James R.} and Friend, {Richard H.}",

year = "2013",

month = jan,

day = "3",

doi = "10.1021/jz301883y",

language = "English (US)",

volume = "4",

pages = "209--215",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "American Chemical Society",

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T1 - Charge-transfer state dynamics following hole and electron transfer in organic photovoltaic devices

AU - Bakulin, Artem A.

AU - Dimitrov, Stoichko D.

AU - Rao, Akshay

AU - Chow, Philip C.Y.

AU - Nielsen, Christian B.

AU - Schroeder, Bob C.

AU - McCulloch, Iain

AU - Bakker, Huib J.

AU - Durrant, James R.

AU - Friend, Richard H.

PY - 2013/1/3

Y1 - 2013/1/3

N2 - The formation of bound electron-hole pairs, also called charge-transfer (CT) states, in organic-based photovoltaic devices is one of the dominant loss mechanisms hindering performance. Whereas CT state dynamics following electron transfer from donor to acceptor have been widely studied, there is not much known about the dynamics of bound CT states produced by hole transfer from the acceptor to the donor. In this letter, we compare the dynamics of CT states formed in the different charge-transfer pathways in a range of model systems. We show that the nature and dynamics of the generated CT states are similar in the case of electron and hole transfer. However the yield of bound and free charges is observed to be strongly dependent on the HOMOD-HOMOA and LUMOD-LUMOA energy differences of the material system. We propose a qualitative model in which the effects of static disorder and sampling of states during the relaxation determine the probability of accessing CT states favorable for charge separation.

AB - The formation of bound electron-hole pairs, also called charge-transfer (CT) states, in organic-based photovoltaic devices is one of the dominant loss mechanisms hindering performance. Whereas CT state dynamics following electron transfer from donor to acceptor have been widely studied, there is not much known about the dynamics of bound CT states produced by hole transfer from the acceptor to the donor. In this letter, we compare the dynamics of CT states formed in the different charge-transfer pathways in a range of model systems. We show that the nature and dynamics of the generated CT states are similar in the case of electron and hole transfer. However the yield of bound and free charges is observed to be strongly dependent on the HOMOD-HOMOA and LUMOD-LUMOA energy differences of the material system. We propose a qualitative model in which the effects of static disorder and sampling of states during the relaxation determine the probability of accessing CT states favorable for charge separation.

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DO - 10.1021/jz301883y

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SN - 1948-7185

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EP - 215

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 1

ER -

Charge-transfer state dynamics following hole and electron transfer in organic photovoltaic devices

Abstract

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