Symmetry-Breaking-Induced Enhancement of Visible Light Absorption in Delafossite Alloys
Through density functional theory calculations, we demonstrate that enhancement of optical absorption and optimization of the fundamental band gap for Cu delafossites can be achieved through alloying group IIIA and IIIB delafossites. These alloys significantly improved the flexibility in designing delafossite-based photoelectrodes for application in photoelectrochemical decomposition of water by visible spectra of solar light.
- Research Organization:
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC36-08GO28308
- OSTI ID:
- 974906
- Journal Information:
- Applied Physics Letters, Vol. 94, Issue 25, June 2009; Related Information: Article No. 251907; ISSN 0003-6951
- Country of Publication:
- United States
- Language:
- English
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