WebSep 18, 2024 · I tested PBE0 calculations of NaCl, CsCl, AgCl, and InCl3 by CP2K and VASP. The band gap of both NaCl and CsCl show quite small difference between the two codes, say ~0.01-0.02 eV. However, AgCl and InCl3 exhibit relative larger discrepancy, with AgCl 0.16 eV discrepancy and InCl3 0.18 eV, CP2K results of both are smaller than VASP. WebPerovskite-based solar cells include Pb, which is both poisonous and unstable, and resolving this problem will involve discovering other materials that do not contain lead. This study synthesizes a novel series of inorganic lead-free perovskite solar cell sensors using Cs2InAgCl6 as the main visible light absorption component. Studies have been done on …
Improving the Optical and Thermoelectric Properties of Cs2InAgCl6 …
WebJun 1, 2024 · We have studied electronic, phonon transport and thermoelectric properties of Cs 2 InAgCl 6 using first-principles calculations. The PBE functional severely underestimates the bandgap and calculated value for fully relaxed Cs 2 InAgCl 6 is 1.01 eV. Our calculated direct bandgap using TB-mBJ potential of partially relaxed Cs 2 InAgCl 6 … Webmaterialsproject.org servisierte appartments
Quasiparticle Band Structure and Phonon-Induced Band Gap ...
WebMar 6, 2024 · Mixed-halide perovskites possess excellent semiconductor properties but suffer severely from notorious light-induced phase segregation effect. Here Zhang et al. employ simple photoluminescence ... WebCiF Lab Solutions. 53 Courtland Avenue Vaughan, Ontario Canada L4K 3T2 www.cifsolutions.com. Sheri Worrall Tel: 416.573.3846 [email protected]. … WebMay 9, 2024 · The Materials Project. Materials Data on Cs2InAgCl6 by Materials Project.United States: N. p., 2024. Web. doi:10.17188/1676136. servis squeezie