Our group has been successful in applying Quantum Mechanics (QM) methods, such as, DFT in studying the materials class of metal halide perosvkites (18 pristine compounds in total). However, DFT is computationally demanding and often limited to small and pure systems....
Metal halide perovskites, ABX3, A=Cs, CH3NH3, CH2(NH3)2, M=Pb, Sn, X=I, Br, Cl, are the new kid on the block regarding materials for high-efficiency solar cells. These perovskites are direct band gap semiconductors with a high optical absorption, small exciton binding...
The 2D perovskites show superior stability under ambient conditions compared with 3D ones. Unfortunately, the charge transport in the direction parallel or perpendicular to spacer cation is anisotropic, which is harmful to the solar cell performance. In this project,...
Mixed halide hybrid perovskites AMX3 ABX3, A=Cs, CH3NH3, CH2(NH3)2, B=Pb, Sn, X=I, Br, Cl, are excellent light absorbers for perovskite solar cells. However, the photo-induced halide phase segregation degrades photovoltaic performance and impedes their photovoltaic...
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