Computational high throughput screening of inorganic cation based halide perovskites for perovskite only tandem solar cells
- 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 CH3NH3, 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.
| Author details: | Manaswita KarORCiDGND, Thomas KörzdörferORCiDGND |
|---|---|
| DOI: | https://doi.org/10.1088/2053-1591/ab8c0d |
| ISSN: | 2053-1591 |
| Title of parent work (English): | Materials Research Express |
| Publisher: | IOP Publ. Ltd. |
| Place of publishing: | Bristol |
| Publication type: | Article |
| Language: | English |
| Date of first publication: | 2020/05/04 |
| Publication year: | 2020 |
| Release date: | 2023/03/28 |
| Tag: | density functional theory; inorganic perovskites; tandem solar cells |
| Volume: | 7 |
| Issue: | 5 |
| Article number: | 055502 |
| Number of pages: | 10 |
| First page: | 1 |
| Last Page: | 10 |
| Funding institution: | HyPerCells graduate school, within the University of Potsdam; DOE Office; of Science User FacilityUnited States Department of Energy (DOE); [DE-AC02-06CH11357] |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| DDC classification: | 6 Technik, Medizin, angewandte Wissenschaften / 62 Ingenieurwissenschaften / 620 Ingenieurwissenschaften und zugeordnete Tätigkeiten |
| Peer review: | Referiert |
| Publishing method: | Open Access / Gold Open-Access |
| DOAJ gelistet | |
| License (German): |  CC-BY - Namensnennung 4.0 International |
| External remark: | Zweitveröffentlichung in der Schriftenreihe Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe ; 1438 |
