Open AccessComputational high throughput screening of inorganic cation based halide perovskites for perovskite only tandem solar cells
Author(s) -
Moumita Kar,
Thomas Körzdörfer
Publication year - 2020
Publication title -
materials research express
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.383
H-Index - 35
ISSN - 2053-1591
DOI - 10.1088/2053-1591/ab8c0d
Subject(s) - tandem , halide , perovskite (structure) , density functional theory , solar cell , materials science , inorganic chemistry , chemistry , optoelectronics , computational chemistry , crystallography , composite material
We search for homovalent alternatives for A, B, and X-ions in ABX 3 type inorganic halide perovskites suitable for tandem solar cell applications. We replace the conventional A-site organic cation CH 3 NH 3 , by 3 inorganic cations, Cs, K, and Rb, and the B site consists of metals; Cd, Hg, Ge, Pb, and Sn This work is built on our previous high throughput screening of hybrid perovskite materials (Kar et al 2018 J. Chem. Phys. 149 , 214701). By performing a systematic screening study using Density Functional Theory (DFT) methods, we found 11 suitable candidates; 2 Cs-based, 3 K-based and 6 Rb-based that are suitable for tandem solar cell applications.