Defect properties of Na and K in Cu2ZnSnS4 from hybrid functional calculation
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Applied Physics"
DOI: 10.1063/1.5046734
Abstract: In-growth or post-deposition treatment of $Cu_{2}ZnSnS_{4}$ (CZTS) absorber layer had led to improved photovoltaic efficiency, however, the underlying physical mechanism of such improvements are less studied. In this study, the thermodynamics of Na and K… read more here.
Keywords: hybrid functional; defect properties; functional calculation; properties cu2znsns4 ... See more keywords
Unusual defect properties in multivalent perovskite Cs2Au2I6 : A first-principles study
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.5.085405
Abstract: Double halide perovskites have attracted increasing interest due to their great potential to eliminate the toxicity and instability issues in lead halide perovskites. Unfortunately, octahedral cation antisites easily form in common double halide perovskites and… read more here.
Keywords: defect properties; unusual defect; double halide; mathrm ... See more keywords