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 |
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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 |