Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: the Untapped Potential of Hybrid Inorganic Nanotubes



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).

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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
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: 16 Apr 2021 11:23
DOI: 10.1002/advs.201600153
Open Access URL: http://onlinelibrary.wiley.com/doi/10.1002/advs.20...
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URI: https://livrepository.liverpool.ac.uk/id/eprint/3002270