Searching Stable CuxS Structures for Photovoltaic Application (Presentation)
The crystal and electronic band structures of CuxS (1.25 < x ≤ 2) are systematically studied using the density-functional theory method. For Cu2S, all the three chalcocite phases, i.e., the low-chalcocite, the high-chalcocite, and the cubic-chalcocite phases have direct band gaps 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 Cu2S. We find that under Cu-rich condition, the anilite Cu1.75S is the most stable structure. It has a predicted band gap of 1.4 eV and is a promising solar cell absorber.
- Publication Date:
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- Resource Type:
- Resource Relation:
- Conference: Presented at the Photovoltaic Module Reliability Workshop (PVMRW), 25-26 February 2014, Golden, Colorado; Related Information: NREL (National Renewable Energy Laboratory)
- Research Org:
- National Renewable Energy Laboratory (NREL), Golden, CO.
- Sponsoring Org:
- USDOE Office of Energy Efficiency and Renewable Energy Solar Energy Technologies Office
- Country of Publication:
- United States
- 14 SOLAR ENERGY; 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY CUXS STRUCTURES; PV; PHOTOVOLTAIC; CRYSTAL AND ELECTRONIC BAND; DENSITY-FUNCTIONAL; CU2S; CU1.75S
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