期刊
NANO LETTERS
卷 15, 期 1, 页码 581-585出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl504046x
关键词
Perovskites; chalcogenides; photovoltaics; zirconium; titanium; optical absorption
类别
资金
- National Science Foundation [DMR-1104994]
- Department of Energy (DOE) [DE-SC0002623]
- DOE [DE-AC02-05CH11231]
- U.S. Department of Energy (DOE) [DE-SC0002623] Funding Source: U.S. Department of Energy (DOE)
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1104994] Funding Source: National Science Foundation
Chalcogenide perovskites are proposed for photovoltaic applications. The predicted band gaps of CaTiS3, BaZrS3, CaZrSe3, and CaHfSe3 with the distorted perovskite structure are within the optimal range for making single-junction solar cells. The predicted optical absorption properties of these materials are superior compared with other high-efficiency solar-cell materials. Possible replacement of the alkaline-earth cations by molecular cations, e.g., (NH3NH3)(2+), as in the organic-inorganic halide perovskites (e.g., CH3NH3PbI3), are also proposed and found to be stable. The chalcogenide perovskites provide promising candidates for addressing the challenging issues regarding halide perovskites such as instability in the presence of moisture and containing the toxic element Pb.
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