Quantifying the role of interfacial width on intermolecular charge recombination in block copolymer photovoltaics

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Abstract

Block copolymers have the potential to control the interfacial and mesoscopic structure in the active layer of organic photovoltaics and consequently enhance device performance beyond systems which rely on physical mixtures. When utilized as the active layer, poly(3-hexylthiophene-2,5-diyl)-block-poly((9,9-bis-(2-octyldodecyl)fluorene-2,7-diyl)-alt-(4,7-di(thiophene-2-yl)-2,1,3-benzothiadiazole)-5′,5-diyl) donor-acceptor block copolymers have recently demonstrated 3% power conversion efficiencies in devices. Nevertheless, the role of the interfacial structure on charge transfer processes remains unclear. Using density functional theory, we examined charge transfer rate constants in model interfaces of donor-acceptor block copolymers. Our results demonstrate that intermolecular charge recombination can depend on the interfacial breadth, where sharp interfaces (ca. 1 nm) suppress intermolecular charge recombination by orders of magnitude.

Original languageEnglish (US)
Pages (from-to)1224-1230
Number of pages7
JournalJournal of Polymer Science, Part B: Polymer Physics
Volume53
Issue number17
DOIs
StatePublished - Sep 1 2015

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block copolymers
Block copolymers
Charge transfer
charge transfer
Thiophenes
Thiophene
thiophenes
Conversion efficiency
Density functional theory
Rate constants
density functional theory

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Polymers and Plastics
  • Materials Chemistry

Cite this

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title = "Quantifying the role of interfacial width on intermolecular charge recombination in block copolymer photovoltaics",
abstract = "Block copolymers have the potential to control the interfacial and mesoscopic structure in the active layer of organic photovoltaics and consequently enhance device performance beyond systems which rely on physical mixtures. When utilized as the active layer, poly(3-hexylthiophene-2,5-diyl)-block-poly((9,9-bis-(2-octyldodecyl)fluorene-2,7-diyl)-alt-(4,7-di(thiophene-2-yl)-2,1,3-benzothiadiazole)-5′,5-diyl) donor-acceptor block copolymers have recently demonstrated 3{\%} power conversion efficiencies in devices. Nevertheless, the role of the interfacial structure on charge transfer processes remains unclear. Using density functional theory, we examined charge transfer rate constants in model interfaces of donor-acceptor block copolymers. Our results demonstrate that intermolecular charge recombination can depend on the interfacial breadth, where sharp interfaces (ca. 1 nm) suppress intermolecular charge recombination by orders of magnitude.",
author = "Hao Kuang and Janik, {Michael John} and Gomez, {Enrique Daniel}",
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T1 - Quantifying the role of interfacial width on intermolecular charge recombination in block copolymer photovoltaics

AU - Kuang, Hao

AU - Janik, Michael John

AU - Gomez, Enrique Daniel

PY - 2015/9/1

Y1 - 2015/9/1

N2 - Block copolymers have the potential to control the interfacial and mesoscopic structure in the active layer of organic photovoltaics and consequently enhance device performance beyond systems which rely on physical mixtures. When utilized as the active layer, poly(3-hexylthiophene-2,5-diyl)-block-poly((9,9-bis-(2-octyldodecyl)fluorene-2,7-diyl)-alt-(4,7-di(thiophene-2-yl)-2,1,3-benzothiadiazole)-5′,5-diyl) donor-acceptor block copolymers have recently demonstrated 3% power conversion efficiencies in devices. Nevertheless, the role of the interfacial structure on charge transfer processes remains unclear. Using density functional theory, we examined charge transfer rate constants in model interfaces of donor-acceptor block copolymers. Our results demonstrate that intermolecular charge recombination can depend on the interfacial breadth, where sharp interfaces (ca. 1 nm) suppress intermolecular charge recombination by orders of magnitude.

AB - Block copolymers have the potential to control the interfacial and mesoscopic structure in the active layer of organic photovoltaics and consequently enhance device performance beyond systems which rely on physical mixtures. When utilized as the active layer, poly(3-hexylthiophene-2,5-diyl)-block-poly((9,9-bis-(2-octyldodecyl)fluorene-2,7-diyl)-alt-(4,7-di(thiophene-2-yl)-2,1,3-benzothiadiazole)-5′,5-diyl) donor-acceptor block copolymers have recently demonstrated 3% power conversion efficiencies in devices. Nevertheless, the role of the interfacial structure on charge transfer processes remains unclear. Using density functional theory, we examined charge transfer rate constants in model interfaces of donor-acceptor block copolymers. Our results demonstrate that intermolecular charge recombination can depend on the interfacial breadth, where sharp interfaces (ca. 1 nm) suppress intermolecular charge recombination by orders of magnitude.

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