Research

Symmetry-breaking-induced enhancement of visible light absorption in delafossite alloys


Reference:

Huda, M. N., Yan, Y. F., Walsh, A., Wei, S. H. and Al-Jassim, M. M., 2009. Symmetry-breaking-induced enhancement of visible light absorption in delafossite alloys. Applied Physics Letters, 94 (25), 251907.

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Official URL:

http://dx.doi.org/10.1063/1.3157840

Abstract

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.

Details

Item Type Articles
CreatorsHuda, M. N., Yan, Y. F., Walsh, A., Wei, S. H. and Al-Jassim, M. M.
DOI10.1063/1.3157840
Uncontrolled Keywordsoptical, energy gap, wave basis-set, hydrogen generation, density functional theory, metals, spontaneous symmetry breaking, semiconductors, constants, total-energy calculations, visible spectra, copper compounds
DepartmentsFaculty of Science > Chemistry
RefereedYes
StatusPublished
ID Code23995

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