In this section
@article{Sathasivam:2016:10.1021/acs.jpcc.6b11073,
author = {Sathasivam, S and Williamson, BAD and Kafizas, A and Althabaiti, SA and Obaid, AY and Basahel, SN and Scanlon, DO and Carmalt, CJ and Parkin, IP},
doi = {10.1021/acs.jpcc.6b11073},
journal = {Journal of Physical Chemistry C},
pages = {202--210},
title = {Computational and experimental study of Ta2O5 thin films},
url = {http://dx.doi.org/10.1021/acs.jpcc.6b11073},
volume = {121},
year = {2016}
}
TY - JOUR
AB - 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.
AU - Sathasivam,S
AU - Williamson,BAD
AU - Kafizas,A
AU - Althabaiti,SA
AU - Obaid,AY
AU - Basahel,SN
AU - Scanlon,DO
AU - Carmalt,CJ
AU - Parkin,IP
DO - 10.1021/acs.jpcc.6b11073
EP - 210
PY - 2016///
SN - 1932-7447
SP - 202
TI - Computational and experimental study of Ta2O5 thin films
T2 - Journal of Physical Chemistry C
UR - http://dx.doi.org/10.1021/acs.jpcc.6b11073
UR - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000392035500021&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR - http://hdl.handle.net/10044/1/51335
VL - 121
ER -
Dr. Andreas Kafizas
Leader - Solar Coatings Group
e-mail: a.kafizas@imperial.ac.uk
tel: +44(0)20 7594 6752
twitter: @CoatingsSolar