The DOI matches its Crossref record; 55 of the 55 references it cites were found in a registry or an index.
Can Pb-Free Halide Double Perovskites Support High-Efficiency Solar Cells?
Open accessAbstract
Abstract The methylammonium lead halides have become champion photoactive semiconductors for solar cell applications; however, issues still remain with respect to chemical instability and potential toxicity. Recently, the Cs2AgBiX6 (X = Cl, Br) double perovskite family has been synthesized and investigated as stable nontoxic replacements. We probe the chemical bonding, physical properties, and cation anti-site disorder of Cs2AgBiX6 and related compounds from first-principles. We demonstrate that the combination of Ag(I) and Bi(III) leads to the wide indirect band gaps with large carrier effective masses owing to a mismatch in angular momentum of the frontier atomic orbitals. The spectroscopically limited photovoltaic conversion efficiency is less than 10% for X = Cl or Br. This limitation can be overcome by replacing Ag with In or Tl; however, the resulting compounds are predicted to be unstable thermodynamically. The search for nontoxic bismuth perovskites must expand beyond the Cs2AgBiX6 motif.
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Cited by
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Metadata
- Authors
- Savory, C. N., Walsh, A., & Scanlon, D. O.
- Venue
- ACS Energy Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2016-10-17
- Volume
- 1
- Issue
- 5
- Pages
- 949-955
- ISSN
- 2380-8195 (ISSN-L)
- OpenAlex
- W2530890013
- Cited by
- 554
- References
- 55
- FWCI
- 23.17
- Type
- journal article
- Language
- en
- Open access
- hybrid
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