Park, Bo-In Je, Minyeong Oh, Jihun Choi, Heechae Lee, Seung Yong 2024-01-19T18:00:34Z 2024-01-19T18:00:34Z 2021-09-05 2020-04 1359-6462 https://pubs.kist.re.kr/handle/201004/118792 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. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. English PERGAMON-ELSEVIER SCIENCE LTD SOLAR-CELL NANOCRYSTALS CU2ZNSNS4 IMPACT CUSBS2 GREEN Rationally designed CuSb1-xBixS2 as a promising photovoltaic material: Theoretical and experimental study Article 10.1016/j.scriptamat.2020.01.008 1 SCRIPTA MATERIALIA, v.179, pp.107 - 112 SCRIPTA MATERIALIA 179 107 112 scie scopus 000514758200022 2-s2.0-85078174093 Nanoscience & Nanotechnology Materials Science, Multidisciplinary Metallurgy & Metallurgical Engineering Science & Technology - Other Topics Materials Science Metallurgy & Metallurgical Engineering Article SOLAR-CELL NANOCRYSTALS CU2ZNSNS4 IMPACT CUSBS2 GREEN Photovoltaic materials Solar cells Mechanochemical method I-V-VI Chalcogenide