TY - JOUR
T1 - A Systematic Approach to the Design Optimization of Light-Absorbing Indenofluorene Polymers for Organic Photovoltaics
AU - Kirkpatrick, James
AU - Nielsen, Christian B.
AU - Zhang, Weimin
AU - Bronstein, Hugo
AU - Ashraf, R. Shahid
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.
PY - 2012/1/9
Y1 - 2012/1/9
N2 - 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. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
AB - 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. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
UR - http://hdl.handle.net/10754/597420
UR - https://onlinelibrary.wiley.com/doi/10.1002/aenm.201100622
UR - http://www.scopus.com/inward/record.url?scp=84861696107&partnerID=8YFLogxK
U2 - 10.1002/aenm.201100622
DO - 10.1002/aenm.201100622
M3 - Article
AN - SCOPUS:84861696107
SN - 1614-6832
VL - 2
SP - 260
EP - 265
JO - Advanced Energy Materials
JF - Advanced Energy Materials
IS - 2
ER -
