Lead-free halide perovskites are of great importance as prospective materials for efficient solar cells. Germanium is a very promising non-toxic alternative to lead. In this study, the crystal configuration, projected density of states and band structure of the trigonal CsGeI3, the yellow and the quenched black orthorhombic CsPbI3, and the cubic CsPbI3 were investigated using the density functional theory with Perdew-Burke-Ernzerhof functional. Our calculations showed that for the CsGeI3, the valence band maximum is mainly contributed by the I 5p and Ge 4s orbitals whereas the conduction band minimum is mainly contributed by the Ge 4p orbitals. The replacement of Pb with Ge results in a narrower bandgap.
|Title of host publication
|2021 IEEE 48th Photovoltaic Specialists Conference, PVSC 2021
|Institute of Electrical and Electronics Engineers Inc.
|Number of pages
|Published - Jun 20 2021
|48th IEEE Photovoltaic Specialists Conference, PVSC 2021 - Fort Lauderdale, United States
Duration: Jun 20 2021 → Jun 25 2021
|Conference Record of the IEEE Photovoltaic Specialists Conference
|48th IEEE Photovoltaic Specialists Conference, PVSC 2021
|6/20/21 → 6/25/21
All Science Journal Classification (ASJC) codes
- Control and Systems Engineering
- Industrial and Manufacturing Engineering
- Electrical and Electronic Engineering