Park, Bo-In, Je, Minyeong, Oh, Jihun ORCID: 0000-0001-6465-6736, Choi, Heechae ORCID: 0000-0002-9390-6607 and Lee, Seung Yong (2020). Rationally designed CuSb1-xBixS2 as a promising photovoltaic material: Theoretical and experimental study. Scr. Mater., 179. S. 107 - 113. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD. ISSN 1359-6462

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Abstract

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.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Park, Bo-InUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Je, MinyeongUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Oh, JihunUNSPECIFIEDorcid.org/0000-0001-6465-6736UNSPECIFIED
Choi, HeechaeUNSPECIFIEDorcid.org/0000-0002-9390-6607UNSPECIFIED
Lee, Seung YongUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-339858
DOI: 10.1016/j.scriptamat.2020.01.008
Journal or Publication Title: Scr. Mater.
Volume: 179
Page Range: S. 107 - 113
Date: 2020
Publisher: PERGAMON-ELSEVIER SCIENCE LTD
Place of Publication: OXFORD
ISSN: 1359-6462
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
SOLAR-CELL; NANOCRYSTALS; CU2ZNSNS4; IMPACT; CUSBS2; GREENMultiple languages
Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical EngineeringMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/33985

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