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

Muhammad N. Huda; Yanfa Yan; Aron Walsh; Su Huai Wei; Mowafak M. Al-Jassim

doi:10.1063/1.3157840

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

Muhammad N. Huda, Yanfa Yan, Aron Walsh, Su Huai Wei, Mowafak M. Al-Jassim

Department of Physics

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

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.

Original language	English
Article number	251907
Journal	Applied Physics Letters
Volume	94
Issue number	25
DOIs	https://doi.org/10.1063/1.3157840
State	Published - 2009

Bibliographical note

Funding Information:
This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC36-08GO28308.

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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.",

author = "Huda, {Muhammad N.} and Yanfa Yan and Aron Walsh and Wei, {Su Huai} and Al-Jassim, {Mowafak M.}",

note = "Funding Information: This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. ",

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AU - Yan, Yanfa

AU - Walsh, Aron

AU - Wei, Su Huai

AU - Al-Jassim, Mowafak M.

N1 - Funding Information: This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC36-08GO28308.

PY - 2009

Y1 - 2009

N2 - 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.

AB - 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.

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

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