An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr1-xBaxMoO3

H. A. Hopper; J. Le; J. Cheng; T. Weller; R. Marschall; J. Z. Bloh; D. E. Macphee; A. Folli; A. C. McLaughlin

doi:10.1016/j.jssc.2015.12.002

An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr1-xBaxMoO3

H. A. Hopper, J. Le, J. Cheng, T. Weller, R. Marschall, J. Z. Bloh, D. E. Macphee, A. Folli, A. C. McLaughlin

Chemistry

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Abstract

The solid solution Sr1-xBaxMoO3 (x=0.00, 0.025, 0.050, 0.075, 0.100 and 1.00) has been synthesised. Rietveld refinement of X-ray diffraction data shows that all materials crystallise with cubic (Pm-3m) symmetry and that a miscibility gap exists from x=0.1-1.0. The optical properties of the metallic perovskites Sr1-xBaxMoO3 have been investigated by a combination of UV-vis spectroscopy and density functional theory (DFT). Upon increasing x from 0 to 1 in Sr(1-)xBa(x)MoO(3) there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. The measured band gap is attributed to the electronic transition from the Mo 4d t(2g) band to the e(g) band. The potential of SrMoO3 and BaMoO3 as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst. (C) 2015 Elsevier Inc. All rights reserved.

Original language	English
Pages (from-to)	87-92
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	234
Early online date	4 Dec 2015
DOIs	https://doi.org/10.1016/j.jssc.2015.12.002
Publication status	Published - Feb 2016

Keywords

Perovskite
photocatalysis
optical properties
space gaussian pseudopotentials
photocatalytic performance
TiO2 photocatalysis
electron-transfer
crystal-structure
energy-levels
aqueous TIO2
thin-films
X-Ray
diffraction

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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@article{f8b16caf06824d8fa0b64fbaf7d4977c,

title = "An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr1-xBaxMoO3",

abstract = "The solid solution Sr1-xBaxMoO3 (x=0.00, 0.025, 0.050, 0.075, 0.100 and 1.00) has been synthesised. Rietveld refinement of X-ray diffraction data shows that all materials crystallise with cubic (Pm-3m) symmetry and that a miscibility gap exists from x=0.1-1.0. The optical properties of the metallic perovskites Sr1-xBaxMoO3 have been investigated by a combination of UV-vis spectroscopy and density functional theory (DFT). Upon increasing x from 0 to 1 in Sr(1-)xBa(x)MoO(3) there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. The measured band gap is attributed to the electronic transition from the Mo 4d t(2g) band to the e(g) band. The potential of SrMoO3 and BaMoO3 as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst. (C) 2015 Elsevier Inc. All rights reserved.",

keywords = "Perovskite, photocatalysis, optical properties, space gaussian pseudopotentials, photocatalytic performance, TiO2 photocatalysis, electron-transfer , crystal-structure, energy-levels, aqueous TIO2, thin-films, X-Ray, diffraction",

author = "Hopper, {H. A.} and J. Le and J. Cheng and T. Weller and R. Marschall and Bloh, {J. Z.} and Macphee, {D. E.} and A. Folli and McLaughlin, {A. C.}",

note = "Acknowledgements We acknowledge the University of Aberdeen for provision of a studentship for Harriet Hopper. J. Le is supported by a CoPS studentship at the University of Aberdeen. J. Le and J. C. thank the Maxwell supercomputing cluster at the University of Aberdeen for computing time.",

year = "2016",

month = feb,

doi = "10.1016/j.jssc.2015.12.002",

language = "English",

volume = "234",

pages = "87--92",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "ACADEMIC PRESS INC ELSEVIER SCIENCE",

}

TY - JOUR

T1 - An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr1-xBaxMoO3

AU - Hopper, H. A.

AU - Le, J.

AU - Cheng, J.

AU - Weller, T.

AU - Marschall, R.

AU - Bloh, J. Z.

AU - Macphee, D. E.

AU - Folli, A.

AU - McLaughlin, A. C.

N1 - Acknowledgements We acknowledge the University of Aberdeen for provision of a studentship for Harriet Hopper. J. Le is supported by a CoPS studentship at the University of Aberdeen. J. Le and J. C. thank the Maxwell supercomputing cluster at the University of Aberdeen for computing time.

PY - 2016/2

Y1 - 2016/2

N2 - The solid solution Sr1-xBaxMoO3 (x=0.00, 0.025, 0.050, 0.075, 0.100 and 1.00) has been synthesised. Rietveld refinement of X-ray diffraction data shows that all materials crystallise with cubic (Pm-3m) symmetry and that a miscibility gap exists from x=0.1-1.0. The optical properties of the metallic perovskites Sr1-xBaxMoO3 have been investigated by a combination of UV-vis spectroscopy and density functional theory (DFT). Upon increasing x from 0 to 1 in Sr(1-)xBa(x)MoO(3) there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. The measured band gap is attributed to the electronic transition from the Mo 4d t(2g) band to the e(g) band. The potential of SrMoO3 and BaMoO3 as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst. (C) 2015 Elsevier Inc. All rights reserved.

AB - The solid solution Sr1-xBaxMoO3 (x=0.00, 0.025, 0.050, 0.075, 0.100 and 1.00) has been synthesised. Rietveld refinement of X-ray diffraction data shows that all materials crystallise with cubic (Pm-3m) symmetry and that a miscibility gap exists from x=0.1-1.0. The optical properties of the metallic perovskites Sr1-xBaxMoO3 have been investigated by a combination of UV-vis spectroscopy and density functional theory (DFT). Upon increasing x from 0 to 1 in Sr(1-)xBa(x)MoO(3) there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. The measured band gap is attributed to the electronic transition from the Mo 4d t(2g) band to the e(g) band. The potential of SrMoO3 and BaMoO3 as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst. (C) 2015 Elsevier Inc. All rights reserved.

KW - Perovskite

KW - photocatalysis

KW - optical properties

KW - space gaussian pseudopotentials

KW - photocatalytic performance

KW - TiO2 photocatalysis

KW - electron-transfer

KW - crystal-structure

KW - energy-levels

KW - aqueous TIO2

KW - thin-films

KW - X-Ray

KW - diffraction

U2 - 10.1016/j.jssc.2015.12.002

DO - 10.1016/j.jssc.2015.12.002

M3 - Article

VL - 234

SP - 87

EP - 92

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

SN - 0022-4596

ER -

An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr1-xBaxMoO3

Abstract

Keywords

UN SDGs

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