DFT calculations predict Li2InBiX6 (X=Cl,Br,I) double perovskites are thermodynamically stable with direct bandgaps of 1.7-1.1 eV, strong visible/IR absorption, and promising thermoelectric and photocatalytic performance for energy conversion.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Tailoring the Optoelectronic, Photocatalytic, Thermoelectric and Thermodynamic Properties of Halides Li2InBiX6 (X = Cl, Br, I) for Energy Conversion: A DFT Study
DFT calculations predict Li2InBiX6 (X=Cl,Br,I) double perovskites are thermodynamically stable with direct bandgaps of 1.7-1.1 eV, strong visible/IR absorption, and promising thermoelectric and photocatalytic performance for energy conversion.