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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
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.
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Authors (11)
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Joshua Elliott
- University of Liverpool Stephenson Institute for Renewable Energy and Department of Chemistry
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Emiliano Poli
- University of Liverpool Stephenson Institute for Renewable Energy and Department of Chemistry
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Ivan Scivetti
- University of Liverpool Stephenson Institute for Renewable Energy and Department of Chemistry
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Laura Ratcliff
- Imperial College London The Thomas Young Centre for Theory and Simulation of Materials
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Lampros Andrinopoulos
- Imperial College London The Thomas Young Centre for Theory and Simulation of Materials
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Nicholas Hine
- University of Warwick Department of Physics
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Arash Mostofi
- Imperial College London The Thomas Young Centre for Theory and Simulation of Materials
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Chris-Kriton Skylaris
- University of Southampton School of Chemistry
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Peter Haynes
- Imperial College London The Thomas Young Centre for Theory and Simulation of Materials
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Gilberto Teobaldi
- University of Liverpool Stephenson Institute for Renewable Energy and Department of Chemistry
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- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.1002/advs.201600153
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Details
- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
-
Advanced Science
no. 4,
pages 1 - 7,
ISSN: 2198-3844 - Language:
- English
- Publication year:
- 2016
- Bibliographic description:
- Elliott J., Poli E., Scivetti I., Ratcliff L., Andrinopoulos L., Dziedzic J., Hine N., Mostofi A., Skylaris C., Haynes P., Teobaldi G.: Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes// Advanced Science. -Vol. 4, iss. 2 (2016), s.1-7
- DOI:
- Digital Object Identifier (open in new tab) 10.1002/advs.201600153
- Verified by:
- Gdańsk University of Technology
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