A systematic approach to the design optimization of light-absorbing indenofluorene polymers for organic photovoltaics

James Kirkpatrick; Christian B. Nielsen; Weimin Zhang; Hugo Bronstein; R. Shahid Ashraf; Martin Heeney; Iain McCulloch

doi:10.1002/aenm.201100622

A systematic approach to the design optimization of light-absorbing indenofluorene polymers for organic photovoltaics

James Kirkpatrick^*, Christian B. Nielsen, Weimin Zhang, Hugo Bronstein, R. Shahid Ashraf, Martin Heeney, Iain McCulloch

^*Corresponding author for this work

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

52 Scopus citations

Abstract

The synthesis and optimization of new photovoltaic donor polymers is a time-consuming process. Computer-based molecular simulations can narrow the scope of materials choice to the most promising ones, by identifying materials with desirable energy levels and absorption energies. In this paper, such a retrospective analysis is presented of a series of fused aromatic push-pull copolymers. It is demonstrated that molecular calculations do indeed provide good estimates of the absorption energies measured by UV-vis spectroscopy and of the ionization potentials measured by photoelectron spectroscopy in air. Comparing measured photovoltaic performance of the polymer series to the trend in efficiencies predicted by computation confirms the validity of this approach.

Original language	English (US)
Pages (from-to)	260-265
Number of pages	6
Journal	Advanced Energy Materials
Volume	2
Issue number	2
DOIs	https://doi.org/10.1002/aenm.201100622
State	Published - Feb 2012
Externally published	Yes

Bibliographical note

KAUST Repository Item: Exported on 2023-01-09
Acknowledged KAUST grant number(s): KUK-C1-013-04
Acknowledgements: This work was in part carried out with financial support from SUPERGEN, EC FP7 Project X10D and EC FP7 Project ONE-P, with support from the Centre for Plastic Electronics at Imperial College and the International Collaborative Research Program of Gyeonggi-do, Korea. JK is a member of the Oxford Centre for Collaborative Applied Mathematics (OCCAM) where his work is supported by Award No. KUK-C1-013-04, made by King Abdullah University of Science and Technology.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.

ASJC Scopus subject areas

Renewable Energy, Sustainability and the Environment
General Materials Science

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1002/aenm.201100622

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title = "A systematic approach to the design optimization of light-absorbing indenofluorene polymers for organic photovoltaics",

abstract = "The synthesis and optimization of new photovoltaic donor polymers is a time-consuming process. Computer-based molecular simulations can narrow the scope of materials choice to the most promising ones, by identifying materials with desirable energy levels and absorption energies. In this paper, such a retrospective analysis is presented of a series of fused aromatic push-pull copolymers. It is demonstrated that molecular calculations do indeed provide good estimates of the absorption energies measured by UV-vis spectroscopy and of the ionization potentials measured by photoelectron spectroscopy in air. Comparing measured photovoltaic performance of the polymer series to the trend in efficiencies predicted by computation confirms the validity of this approach.",

author = "James Kirkpatrick and Nielsen, {Christian B.} and Weimin Zhang and Hugo Bronstein and Ashraf, {R. Shahid} and Martin Heeney and Iain McCulloch",

note = "KAUST Repository Item: Exported on 2023-01-09 Acknowledged KAUST grant number(s): KUK-C1-013-04 Acknowledgements: This work was in part carried out with financial support from SUPERGEN, EC FP7 Project X10D and EC FP7 Project ONE-P, with support from the Centre for Plastic Electronics at Imperial College and the International Collaborative Research Program of Gyeonggi-do, Korea. JK is a member of the Oxford Centre for Collaborative Applied Mathematics (OCCAM) where his work is supported by Award No. KUK-C1-013-04, made by King Abdullah University of Science and Technology. This publication acknowledges KAUST support, but has no KAUST affiliated authors.",

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AU - Heeney, Martin

AU - McCulloch, Iain

N1 - KAUST Repository Item: Exported on 2023-01-09 Acknowledged KAUST grant number(s): KUK-C1-013-04 Acknowledgements: This work was in part carried out with financial support from SUPERGEN, EC FP7 Project X10D and EC FP7 Project ONE-P, with support from the Centre for Plastic Electronics at Imperial College and the International Collaborative Research Program of Gyeonggi-do, Korea. JK is a member of the Oxford Centre for Collaborative Applied Mathematics (OCCAM) where his work is supported by Award No. KUK-C1-013-04, made by King Abdullah University of Science and Technology. This publication acknowledges KAUST support, but has no KAUST affiliated authors.

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A systematic approach to the design optimization of light-absorbing indenofluorene polymers for organic photovoltaics

Abstract

Bibliographical note

ASJC Scopus subject areas

UN SDGs

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