Chemically selective alternatives to photoferroelectrics for polarization-enhanced photocatalysis: the untapped potential of hybrid inorganic nanotubes
Chemically selective alternatives to photoferroelectrics for polarization-enhanced photocatalysis: the untapped potential of hybrid inorganic nanotubes
Linear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible. Strategies are proposed to increase the NT polarization for maximally enhanced electron–hole separation.
1-7
Elliott, Joshua D.
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Poli, Emiliano
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Scivetti, Ivan
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Ratcliff, Laura E.
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Andrinopoulos, Lampros
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Dziedzic, Jacek
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Hine, Nicholas D.M.
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Mostofi, Arash A.
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Skylaris, Chris
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Haynes, Peter D.
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Teobaldi, Gilberto
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Elliott, Joshua D.
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Poli, Emiliano
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Scivetti, Ivan
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Ratcliff, Laura E.
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Andrinopoulos, Lampros
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Dziedzic, Jacek
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Hine, Nicholas D.M.
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Mostofi, Arash A.
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Skylaris, Chris
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Haynes, Peter D.
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Teobaldi, Gilberto
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Elliott, Joshua D., Poli, Emiliano, Scivetti, Ivan, Ratcliff, Laura E., Andrinopoulos, Lampros, Dziedzic, Jacek, Hine, Nicholas D.M., Mostofi, Arash A., Skylaris, Chris, Haynes, Peter D. and Teobaldi, Gilberto
(2016)
Chemically selective alternatives to photoferroelectrics for polarization-enhanced photocatalysis: the untapped potential of hybrid inorganic nanotubes.
Advanced Science, 2016 (1600153), .
(doi:10.1002/advs.201600153).
Abstract
Linear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible. Strategies are proposed to increase the NT polarization for maximally enhanced electron–hole separation.
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Accepted/In Press date: 12 July 2016
e-pub ahead of print date: 13 September 2016
Organisations:
Chemistry
Identifiers
Local EPrints ID: 401067
URI: http://eprints.soton.ac.uk/id/eprint/401067
ISSN: 2198-3844
PURE UUID: ef699ec7-59e1-4ec7-bab3-78c513369b55
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Date deposited: 04 Oct 2016 09:33
Last modified: 15 Mar 2024 03:35
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Contributors
Author:
Joshua D. Elliott
Author:
Emiliano Poli
Author:
Ivan Scivetti
Author:
Laura E. Ratcliff
Author:
Lampros Andrinopoulos
Author:
Nicholas D.M. Hine
Author:
Arash A. Mostofi
Author:
Peter D. Haynes
Author:
Gilberto Teobaldi
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