Identifying structure–absorption relationships and predicting absorption strength of non-fullerene acceptors for organic photovoltaics

Author:

Yan Jun1ORCID,Rodríguez-Martínez Xabier23,Pearce Drew1,Douglas Hana1,Bili Danai1,Azzouzi Mohammed1,Eisner Flurin1ORCID,Virbule Alise1,Rezasoltani Elham1,Belova Valentina3ORCID,Dörling Bernhard3,Few Sheridan14,Szumska Anna A.1,Hou Xueyan1,Zhang Guichuan5,Yip Hin-Lap56,Campoy-Quiles Mariano3ORCID,Nelson Jenny1ORCID

Affiliation:

1. Department of Physics, Imperial College London, SW7 2AZ, London, UK

2. Electronic and Photonic Materials (EFM), Department of Physics, Chemistry and Biology (IFM), Linköping University, Linköping, SE 581 83, Sweden

3. Instituto de Ciencia de Materiales de Barcelona, ICMAB-CSIC, Campus UAB, Bellaterra 08193, Spain

4. Sustainability Research Institute, School of Earth and Environment, University of Leeds, LS2 9JT, Leeds, UK

5. Institute of Polymer Optoelectronic Materials and Devices, State Key Laboratory of Luminescent Materials and Devices, South China University of Technology, Guangzhou 510640, P. R. China

6. Department of Materials Science and Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong

Abstract

We combine experiments with density functional theory calculations, statistical analysis, and machine-learning to reveal the structure–absorption strength relationship and predict the absorption strength of organic non-fullerene acceptors.

Funder

Ministerio de Ciencia e Innovación

H2020 European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Nuclear Energy and Engineering,Renewable Energy, Sustainability and the Environment,Environmental Chemistry

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