Universität zu Köln

Sasinska, Alexander, Bialuschewski, Danny, Islam, Mazharul M., Singh, Trilok ORCID: 0000-0003-2322-7403, Deo, Meenal and Mathur, Sanjay (2017). Experimental and Theoretical Insights into Influence of Hydrogen and Nitrogen Plasma on the Water Splitting Performance of ALD Grown TiO2 Thin Films. J. Phys. Chem. C, 121 (29). S. 15538 - 15549. WASHINGTON: AMER CHEMICAL SOC. ISSN 1932-7447

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Abstract

Specific effects of hydrogen and nitrogen plasma treatment on anatase TiO2 photoanodes, grown via atomic layer deposition (ALD), and their respective impact on water splitting properties are reported. ALD grown TiO2 samples were exposed to reactive hydrogen and nitrogen plasmas and the photoelectrochemical efficiency of the modified samples were comparatively analyzed. Both H-2 and N-2 plasma treatment enhanced the photocurrent values compared to pristine TiO2. Electron density at oxygen vacancy sites was decreased upon nitrogen incorporation, reflected in band gap modulation and decreased recombination probability as confirmed by spectral data. Surface modification via H-2 plasma induce more midgap states to augment the photoinduced charge carriers concentration that was supported by theoretical investigation performed on the electronic properties of both H-and N-doped TiO2 (anatase). First-principles calculations based on Hartree-Fock-Density-Functional Theory (HF-DFT) hybrid models showed good agreement with the experimental findings and confirmed electronic band gap reduction due to extra electron density introduced via H-2 and N incorporation in TiO2.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Sasinska, Alexander UNSPECIFIED UNSPECIFIED UNSPECIFIED Bialuschewski, Danny UNSPECIFIED UNSPECIFIED UNSPECIFIED Islam, Mazharul M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Singh, Trilok UNSPECIFIED orcid.org/0000-0003-2322-7403 UNSPECIFIED Deo, Meenal UNSPECIFIED UNSPECIFIED UNSPECIFIED Mathur, Sanjay UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-224668
DOI:	10.1021/acs.jpcc.7b03424
Journal or Publication Title:	J. Phys. Chem. C
Volume:	121
Number:	29
Page Range:	S. 15538 - 15549
Date:	2017
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1932-7447
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Inorganic Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language INITIO MOLECULAR-DYNAMICS; DOPED TIO2; PHOTOCATALYTIC ACTIVITY; TITANIUM-DIOXIDE; ELECTRONIC-PROPERTIES; ANATASE TIO2; TRANSITION; OXIDATION; SURFACE; ORIGIN Multiple languages Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/22466