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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
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.
2198-3844
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.
d81c3c45-e146-43e4-8242-81d68993088b
Poli, Emiliano
28a1fbd4-097e-40c8-bd0c-0e72acaebaec
Scivetti, Ivan
3e1874d8-0755-4a8a-84d1-156a5fdcfbae
Ratcliff, Laura E.
addba54a-9c6a-4b57-9f0d-ce54fb0a6834
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), 1-7. (doi:10.1002/advs.201600153).

Record type: Article

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
ORCID for Jacek Dziedzic: ORCID iD orcid.org/0000-0003-4786-372X
ORCID for Chris Skylaris: ORCID iD orcid.org/0000-0003-0258-3433

Catalogue record

Date deposited: 04 Oct 2016 09:33
Last modified: 07 Oct 2020 01:57

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Contributors

Author: Joshua D. Elliott
Author: Emiliano Poli
Author: Ivan Scivetti
Author: Laura E. Ratcliff
Author: Lampros Andrinopoulos
Author: Jacek Dziedzic ORCID iD
Author: Nicholas D.M. Hine
Author: Arash A. Mostofi
Author: Chris Skylaris ORCID iD
Author: Peter D. Haynes
Author: Gilberto Teobaldi

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