Structural defects induced by Fe-ion implantation in TiO2 / Leedahl B.,Zatsepin D. A.,Boukhvalov D. W.,Green R. J.,McLeod J. A.,Kim S. S.,Kurmaev E. Z.,Zhidkov I. S.,Gavrilov N. V.,Cholakh S. O.,Moewes A. // JOURNAL OF APPLIED PHYSICS. - 2014. - V. 115, l. 5.

ISSN/EISSN:

0021-8979 / 1089-7550

Type:

Article

Abstract:

X-ray photoelectron spectroscopy and resonant x-ray emission spectroscopy measurements of pellet and thin film forms of TiO2 with implanted Fe ions are presented and discussed. The findings indicate that Fe-implantation in a TiO2 pellet sample induces heterovalent cation substitution (Fe2+ -> Ti4+) beneath the surface region. But in thin film samples, the clustering of Fe atoms is primarily detected. In addition to this, significant amounts of secondary phases of Fe3+ are detected on the surface of all doped samples due to oxygen exposure. These experimental findings are compared with density functional theory calculations of formation energies for different configurations of structural defects in the implanted TiO2:Fe system. According to our calculations, the clustering of Fe-atoms in TiO2:Fe thin films can be attributed to the formation of combined substitutional and interstitial defects. Further, the differences due to Fe doping in pellet and thin film samples can ultimately be attributed to different surface to volume ratios. (C) 2014 AIP Publishing LLC.

Author keywords:

X-RAY-ABSORPTION; LIGHT-SOURCE; THIN-FILMS; PHOTOCATALYSIS; SPECTROSCOPY; SEMICONDUCTORS; EMISSION; BEAMLINE; OXIDES

DOI:

10.1063/1.4864748

Web of Science ID:

ISI:000331645900045

Соавторы в МНС:

Другие поля

Поле	Значение
Month	FEB 7
Publisher	AMER INST PHYSICS
Address	CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
Language	English
Article-Number	053711
EISSN	1089-7550
Keywords-Plus	X-RAY-ABSORPTION; LIGHT-SOURCE; THIN-FILMS; PHOTOCATALYSIS; SPECTROSCOPY; SEMICONDUCTORS; EMISSION; BEAMLINE; OXIDES
Research-Areas	Physics
Web-of-Science-Categories	Physics, Applied
Author-Email	bdl816@mail.usask.ca
ResearcherID-Numbers	Kim, Sang Sub/A-4583-2016 Leedahl, Brett/B-8438-2015 Cholakh, Seif/M-8221-2016 Zhidkov, Ivan/L-3543-2013 Boukhvalov, Danil/F-7517-2017 Kurmaev, Ernst/J-4254-2013 Green, Robert/D-2052-2012
ORCID-Numbers	Leedahl, Brett/0000-0001-8058-3557 Cholakh, Seif/0000-0002-9313-6614 Zhidkov, Ivan/0000-0001-8727-4730 Kurmaev, Ernst/0000-0003-4625-4930 Gavrilov, Nikolai/0000-0003-1542-0107
Funding-Acknowledgement	Natural Sciences and Engineering Research Council of Canada (NSERC); Canada Research Chair program; Ural Division of Russian Academy of Sciences {[}12-I-2-2040]; Ministry of Science and Education of Russian Federation {[}16.513.11.3007]; Russian Foundation for Basic Research {[}13-08-00059]
Funding-Text	We gratefully acknowledge support from the Natural Sciences and Engineering Research Council of Canada (NSERC) and the Canada Research Chair program. This work was done with partial support of Ural Division of Russian Academy of Sciences (Project No. 12-I-2-2040), Ministry of Science and Education of Russian Federation (GK No. 16.513.11.3007), and Russian Foundation for Basic Research (Project No. 13-08-00059).
Number-of-Cited-References	40
Usage-Count-Last-180-days	4
Usage-Count-Since-2013	44
Journal-ISO	J. Appl. Phys.
Doc-Delivery-Number	AB2TV