TY  - JOUR
A1  - Kar, M.
A1  - Körzdörfer, Thomas
T1  - Computational screening of methylammonium based halide perovskites with bandgaps suitable for perovskite-perovskite tandem solar cells
T2  - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr
N2  - We aim to find homovalent alternatives for lead and iodine in CH3NH3PbI3 perovskites that show bandgaps suitable for building novel perovskite-perovskite tandem solar cells. To this end, we employ a computational screening for materials with a bandgap between 1.0 eV and 1.9 eV, using density functional theory calculations at the Perdew-Burke-Ernzerhof and Heyd-Scuseria-Ernzerhof levels of theory. The room-temperature stability of the materials and their phases that satisfy the bandgap criteria is evaluated based on the empirical Goldschmidt tolerance factor. In total, our screening procedure covers 30 different perovskite structures in three phases (orthorhombic, cubic, tetragonal) each. We find 9 materials that are predicted to be stable at room temperature and to have bandgaps in an energy range suitable for application in tandem solar cells. Published by AIP Publishing.
Y1  - 2018
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/48653
SN  - 0021-9606
SN  - 1089-7690
VL  - 149
IS  - 21
PB  - American Institute of Physics
CY  - Melville
ER  -