Rationally designed CuSb1-xBixS2 as a promising photovoltaic material: Theoretical and experimental study

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Here we report the miscibility gap of CuSb1-xBixS2 (CABS), a promising photo energy conversion material for band gap engineered solar cells, and evaluate its applicability via a combination of theoretical predictions and experimental verifications. Our ab initio calculations and thermodynamic modeling revealed that the CABS random alloy system has optimal band gap values in the range of 1.1-1.5 eV when synthesized at room temperature. The CABS system, synthesized by mechanochemical methods, exhibited optical band gap values in very good agreement with theoretical predictions, as well as lowered kinetic energy barriers for enhanced nucleation.
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Issue Date
2020-04
Language
English
Article Type
Article
Citation

SCRIPTA MATERIALIA, v.179, pp.107 - 112

ISSN
1359-6462
DOI
10.1016/j.scriptamat.2020.01.008
URI
http://hdl.handle.net/10203/272346
Appears in Collection
MS-Journal Papers(저널논문)
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