Stability and Electronic Structures of CuxS Solar Cell Absorbers: Preprint

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Cu{sub x}S is one of the most promising solar cell absorber materials that has the potential to replace the leading thin-film solar cell material Cu(In,Ga)Se{sub 2} for high efficiency and low cost. In the past, solar cells based on Cu{sub x}S have reached efficiency as high as 10%, but it also suffers serious stability issues. To further improve its efficiency and especially the stability, it is important to understand the stability and electronic structure of Cu{sub x}S. However, due to the complexity of their crystal structures, no systematic theoretical studies have been carried out to understand the stability and electronic ... continued below

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5 p.

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Wei, S. H.; Xu, Q.; Huang, B.; Zhao, Y.; Yan, Y. & Noufi, R. July 1, 2012.

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Cu{sub x}S is one of the most promising solar cell absorber materials that has the potential to replace the leading thin-film solar cell material Cu(In,Ga)Se{sub 2} for high efficiency and low cost. In the past, solar cells based on Cu{sub x}S have reached efficiency as high as 10%, but it also suffers serious stability issues. To further improve its efficiency and especially the stability, it is important to understand the stability and electronic structure of Cu{sub x}S. However, due to the complexity of their crystal structures, no systematic theoretical studies have been carried out to understand the stability and electronic structure of the Cu{sub x}S systems. In this work, using first-principles method, we have systematically studied the crystal and electronic band structures of Cu{sub x}S (1.25 < x {le} 2). For Cu{sub 2}S, we find that all the three chalcocite phases, i.e., the low-chalcocite, the high-chalcocite, and the cubic-chalcocite phases, have direct bandgaps around 1.3-1.5 eV, with the low-chalcocite being the most stable one. However, Cu vacancies can form spontaneously in these compounds, causing instability of Cu{sub 2}S. We find that under Cu-rich condition, the anilite Cu{sub 1.75}S is the most stable structure. It has a predicted bandgap of 1.4 eV and could be a promising solar cell absorber.

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5 p.

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  • Presented at the 2012 IEEE Photovoltaic Specialists Conference, 3-8 June 2012, Austin, Texas

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  • Report No.: NREL/CP-5900-54143
  • Grant Number: AC36-08GO28308
  • Office of Scientific & Technical Information Report Number: 1047932
  • Archival Resource Key: ark:/67531/metadc844111

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • July 1, 2012

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  • May 19, 2016, 9:45 a.m.

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  • April 6, 2017, 12:41 p.m.

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Wei, S. H.; Xu, Q.; Huang, B.; Zhao, Y.; Yan, Y. & Noufi, R. Stability and Electronic Structures of CuxS Solar Cell Absorbers: Preprint, article, July 1, 2012; Golden, Colorado. (digital.library.unt.edu/ark:/67531/metadc844111/: accessed October 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.