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Computational and Experimental Study of Ta 2 O 5 Thin Films

DOI: 10.1021/acs.jpcc.6b11073 DOI Help

Authors: Sanjayan Sathasivam (University College London; Bio Nano Consulting Ltd) , Benjamin A. D. Williamson (University College London) , Andreas Kafizas (University College London) , Shaeel A. Althabaiti (King Abdulaziz University) , Abdullah Y. Obaid (King Abdulaziz University) , Sulaiman N. Basahel (King Abdulaziz University) , David O. Scanlon (University College London; Diamond Light Source) , Claire J. Carmalt (University College London) , Ivan P. Parkin (University College London)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: The Journal Of Physical Chemistry C

State: Published (Approved)
Published: January 2017

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.

Subject Areas: Chemistry


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