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

M N Huda; Y F Yan; Aron Walsh; S H Wei; M M Al-Jassim

doi:10.1063/1.3157840

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

M N Huda, Y F Yan, Aron Walsh, S H Wei, M M Al-Jassim

Department of Chemistry

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

18 Citations (SciVal)

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
Publication status	Published - 2009

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

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10.1063/1.3157840

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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.",

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",

author = "Huda, {M N} and Yan, {Y F} and Aron Walsh and Wei, {S H} and Al-Jassim, {M M}",

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volume = "94",

journal = "Applied Physics Letters",

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AU - Huda, M N

AU - Yan, Y F

AU - Walsh, Aron

AU - Wei, S H

AU - Al-Jassim, M M

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.

KW - optical

KW - energy gap

KW - wave basis-set

KW - hydrogen generation

KW - density functional theory

KW - metals

KW - spontaneous symmetry breaking

KW - semiconductors

KW - constants

KW - total-energy calculations

KW - visible spectra

KW - copper compounds

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

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DO - 10.1063/1.3157840

M3 - Article

SN - 0003-6951

VL - 94

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 25

M1 - 251907

ER -

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

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Keywords

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