Sathasivam, S;
Williamson, BAD;
Kafizas, A;
Althabaiti, SA;
Obaid, AY;
Basahel, SN;
Scanlon, DO;
... Parkin, IP; + view all
(2016)
Computational and Experimental Study of Ta2O5 Thin Films.
Journal of Physical Chemistry C
, 121
(1)
pp. 202-210.
10.1021/acs.jpcc.6b11073.
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Abstract
This paper reports the novel synthesis of amorphous Ta2O5 and the subsequent isolation of the orthorhombic (β) crystallographic phase, using aerosol-assisted chemical vapor deposition. Hybrid density functional theory was used to obtain the calculated optical band gap (3.83 eV) for the first time, which closely matches our experimental findings (3.85 eV). The films were highly transparent in the visible and near-IR region of the electromagnetic spectrum. The refractive indexes, calculated using the Swanepoel method, showed good agreement with literature findings. The photocatalytic properties of the films, determined through the photominerilization of stearic acid under 254 nm radiation showed the amorphous sample to be an order of magnitude superior over crystalline β-Ta2O5.
| Type: | Article |
|---|---|
| Title: | Computational and Experimental Study of Ta2O5 Thin Films |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpcc.6b11073 |
| Publisher version: | http://doi.org/10.1021/acs.jpcc.6b11073 |
| Language: | English |
| Additional information: | This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Journal of Physical Chemistry C, copyright © 2017 American Chemical Society after peer review. To access the final edited and published work see http://doi.org/10.1021/acs.jpcc.6b11073 |
| Keywords: | Science & Technology, Physical Sciences, Technology, Chemistry, Physical, Nanoscience & Nanotechnology, Materials Science, Multidisciplinary, Chemistry, Science & Technology - Other Topics, Materials Science, Chemical-vapor-deposition, Photocatalytic Activity, Electrical-properties, Photovoltaic Applications, Electronic-structure, Dielectric-constant, Tantalum-pentoxide, Crystal-structure, Sputtered Ta2o5, Co2 Reduction |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1539860 |
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