Department of Physics, Applied Physics & Astronomy, Rensselaer Polytechnic Institute , Troy, New York 12180, United States.
Nano Lett. 2015 Jan 14;15(1):581-5. doi: 10.1021/nl504046x. Epub 2015 Jan 2.
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.
硫属化物钙钛矿被提议用于光伏应用。具有扭曲钙钛矿结构的 CaTiS3、BaZrS3、CaZrSe3 和 CaHfSe3 的预测带隙在制造单结太阳能电池的最佳范围内。与其他高效太阳能电池材料相比，这些材料的预测光学吸收特性优越。还提出并发现可以通过用分子阳离子（例如（NH3NH3）（2+））替代碱土金属阳离子，例如在有机-无机卤化物钙钛矿（例如 CH3NH3PbI3）中，是稳定的。硫属化物钙钛矿为解决卤化物钙钛矿面临的具有挑战性的问题提供了有前途的候选材料，例如在存在水分时的不稳定性和含有有毒元素 Pb。
