Search
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.
Citations
-
2 8
CrossRef
-
0
Web of Science
-
2 9
Scopus
Authors (11)
-
Joshua Elliott
- University of Liverpool Stephenson Institute for Renewable Energy and Department of Chemistry
-
Emiliano Poli
- University of Liverpool Stephenson Institute for Renewable Energy and Department of Chemistry
-
Ivan Scivetti
- University of Liverpool Stephenson Institute for Renewable Energy and Department of Chemistry
-
Laura Ratcliff
- Imperial College London The Thomas Young Centre for Theory and Simulation of Materials
-
Lampros Andrinopoulos
- Imperial College London The Thomas Young Centre for Theory and Simulation of Materials
-
Nicholas Hine
- University of Warwick Department of Physics
-
Arash Mostofi
- Imperial College London The Thomas Young Centre for Theory and Simulation of Materials
-
Chris-Kriton Skylaris
- University of Southampton School of Chemistry
-
Peter Haynes
- Imperial College London The Thomas Young Centre for Theory and Simulation of Materials
-
Gilberto Teobaldi
- University of Liverpool Stephenson Institute for Renewable Energy and Department of Chemistry
Cite as
Full text
download paper
downloaded 17 times
- Publication version
- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.1002/advs.201600153
- License
-
open in new tab
Keywords
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
seen 100 times
Recommended for you
Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
- J. Dziedzic,
- S. Fox,
- T. Fox
- + 2 authors
2013
Arbutin: Isolation, X-ray structure and computional studies
- J. Nycz,
- G. Małecki,
- M. Morag
- + 4 authors
2010