Elliott, JD, Poli, E, Scivetti, I, Ratcliff, LE, Andrinopoulos, L, Dziedzic, J, Hine, NDM, Mostofi, AA, Skylaris, CK, Haynes, PD et al (show 1 more authors)
(2017)
Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: the Untapped Potential of Hybrid Inorganic Nanotubes.
Advanced Science, 4 (2).
Text
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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.
Item Type: | Article |
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Uncontrolled Keywords: | chemical separation, ferroelectrics, hybrid inorganic nanotubes, linear-scaling density functional theory, photocatalysis |
Depositing User: | Symplectic Admin |
Date Deposited: | 13 Jul 2016 10:33 |
Last Modified: | 19 Jan 2023 07:34 |
DOI: | 10.1002/advs.201600153 |
Open Access URL: | http://onlinelibrary.wiley.com/doi/10.1002/advs.20... |
Related URLs: | |
URI: | https://livrepository.liverpool.ac.uk/id/eprint/3002270 |