Symmetry-breaking-induced enhancement of visible light absorption in delafossite alloys
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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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.
|Creators||Huda, M. N., Yan, Y. F., Walsh, A., Wei, S. H. and Al-Jassim, M. M.|
|Uncontrolled Keywords||optical,energy gap,wave basis-set,hydrogen generation,density functional theory,metals,spontaneous symmetry breaking,semiconductors,constants,total-energy calculations,visible spectra,copper compounds|
|Departments||Faculty of Science > Chemistry|
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