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Defect engineering of earth-abundant solar absorbers, BiSI and BiSeI

DOI: 10.1021/acs.chemmater.8b01135 DOI Help

Authors: Alex Ganose (Diamond Light Source; University College London) , Saya Matsumoto (University College London) , John Buckeridge (University College London) , David O. Scanlon (University College London; Diamond Light Source)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemistry Of Materials

State: Published (Approved)
Published: May 2018

Abstract: Bismuth-based solar absorbers have recently garnered attention due to their promise of cheap, non-toxic, and efficient photovoltaics. To date, however, most show poor efficiencies far below those seen in commercial technologies. In this work, we investigate two such promising materials, BiSI and BiSeI, using relativistic first principles methods, with the aim of identifying their suitability for photovoltaic applications. Both compounds show excellent optoelectronic properties, with ideal band gaps and strong optical absorption, leading to high predicted device performance. Using defect analysis, we reveal the electronic and structural effects that can lead to the presence of deep trap states, which may help explain the prior poor performance of these materials. Crucially, detailed mapping of the range of experimentally accessible synthesis conditions allows us to provide strategies to avoid the formation of killer defects in the future.

Journal Keywords: Optical absorption; Energy; Defects; Electrical conductivity; Recombination

Diamond Keywords: Photovoltaics; Semiconductors

Subject Areas: Chemistry, Materials, Energy


Technical Areas:

Added On: 22/05/2018 11:42

Documents:
acs.chemmater.8b01135.pdf

Discipline Tags:

Physical Chemistry Earth Sciences & Environment Climate Change Energy Sustainable Energy Systems Materials Science Energy Materials Chemistry

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