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Cu(Sb,Bi)(S,Se)2 as indium-free absorber material with high optical efficiency
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Multiscale Materials Modelling.ORCID iD: 0000-0002-9050-5445
2014 (English)In: Energy Procedia: Volume 44, Pages 1-244 (2014) Proceedings of E-MRS Spring Meeting 2013 Symposium D Advanced Inorganic Materials and Structures for Photovoltaics 27-31 May 2013, Strasbourg, France, Elsevier, 2014, 176-183 p.Conference paper, Published paper (Refereed)
Abstract [en]

Ternary Cu(Sb,Bi)(S,Se)2 compounds such as CuSbS2, CuSbSe2, CuBiS2, and CuBiSe2, are potential photovoltaic materials that contain earth abundant and low-cost elements. Employing an atomistic first-principles modeling within the density function theory we calculate the electronic and optical properties of Cu(Sb,Bi)(S,Se)2 compounds. We find that these four materials have indirect fundamental band gaps in the range of 1.1-1.7 eV. The indirect gap nature is different to the previous experimental measurements (direct gap). Calculations reveal that these materials have strong optical absorption compared to chalcopyrite CuIn(S,Se)2 and kesterite Cu2ZnSn(S,Se)4. The strong absorption of these compounds is explained by the localized p-states of cation Sb/Bi in the lower region of conduction band. Thereby, ternary Cu(Sb,Bi)(S,Se) 2 compounds have the potential to be used as absorber material in thin-film PV technologies.

Place, publisher, year, edition, pages
Elsevier, 2014. 176-183 p.
Series
Energy Procedia, ISSN 1876-6102 ; 44
Keyword [en]
absorber materials, CuBi(S, Se)2, CuSb(S, Se)2, density functional theory, first-principles, solar cells
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-142803DOI: 10.1016/j.egypro.2013.12.025ISI: 000345375900024Scopus ID: 2-s2.0-84893380361OAI: oai:DiVA.org:kth-142803DiVA: diva2:704724
Conference
E-MRS Spring Meeting 2013 Symposium D Advanced Inorganic Materials and Structures for Photovoltaics 27-31 May 2013, Strasbourg, France
Note

QC 20140313

Available from: 2014-03-13 Created: 2014-03-12 Last updated: 2015-01-20Bibliographically approved

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