Band gap modification of ZnO and ZnS through solid solution formation for applications in photocatalysis

Judy N. Hart; Michele Cutini; Neil L. Allan

doi:10.1016/j.egypro.2014.12.338

Band gap modification of ZnO and ZnS through solid solution formation for applications in photocatalysis

Judy N. Hart^*, Michele Cutini, Neil L. Allan

^*Corresponding author for this work

Research output: Contribution to journal › Article (Academic Journal) › peer-review

18 Citations (Scopus)

Abstract

ZnO and ZnS are both good photocatalysts, but their band gaps are too wide for efficient use under sunlight. In this work, solid solutions formed by the addition of a small amount of AlN or GaN to ZnO and AlP or GaP to ZnS are studied with first-principles calculations. Energies of mixing are low in all cases and addition of a small amount of solute can significantly reduce the band gap. Results for the different solid solutions are compared.

Original language	English
Pages (from-to)	32-36
Number of pages	5
Journal	Energy Procedia
Volume	60
Issue number	C
DOIs	https://doi.org/10.1016/j.egypro.2014.12.338
Publication status	Published - 1 Jan 2014

Keywords

Band gap modification
Photcatalysts
Solid solutions
ZnO
ZnS

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title = "Band gap modification of ZnO and ZnS through solid solution formation for applications in photocatalysis",

abstract = "ZnO and ZnS are both good photocatalysts, but their band gaps are too wide for efficient use under sunlight. In this work, solid solutions formed by the addition of a small amount of AlN or GaN to ZnO and AlP or GaP to ZnS are studied with first-principles calculations. Energies of mixing are low in all cases and addition of a small amount of solute can significantly reduce the band gap. Results for the different solid solutions are compared.",

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author = "Hart, {Judy N.} and Michele Cutini and Allan, {Neil L.}",

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T1 - Band gap modification of ZnO and ZnS through solid solution formation for applications in photocatalysis

AU - Hart, Judy N.

AU - Cutini, Michele

AU - Allan, Neil L.

PY - 2014/1/1

Y1 - 2014/1/1

N2 - ZnO and ZnS are both good photocatalysts, but their band gaps are too wide for efficient use under sunlight. In this work, solid solutions formed by the addition of a small amount of AlN or GaN to ZnO and AlP or GaP to ZnS are studied with first-principles calculations. Energies of mixing are low in all cases and addition of a small amount of solute can significantly reduce the band gap. Results for the different solid solutions are compared.

AB - ZnO and ZnS are both good photocatalysts, but their band gaps are too wide for efficient use under sunlight. In this work, solid solutions formed by the addition of a small amount of AlN or GaN to ZnO and AlP or GaP to ZnS are studied with first-principles calculations. Energies of mixing are low in all cases and addition of a small amount of solute can significantly reduce the band gap. Results for the different solid solutions are compared.

KW - Band gap modification

KW - Photcatalysts

KW - Solid solutions

KW - ZnO

KW - ZnS

UR - http://www.scopus.com/inward/record.url?scp=84922346305&partnerID=8YFLogxK

U2 - 10.1016/j.egypro.2014.12.338

DO - 10.1016/j.egypro.2014.12.338

M3 - Article (Academic Journal)

AN - SCOPUS:84922346305

SN - 1876-6102

VL - 60

SP - 32

EP - 36

JO - Energy Procedia

JF - Energy Procedia

IS - C

ER -

Band gap modification of ZnO and ZnS through solid solution formation for applications in photocatalysis

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Keywords

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