Modification of titanium and titanium dioxide surfaces by ion implantation: Combined XPS and DFT study / Boukhvalov D. W.,Korotin D. M.,Efremov A. V.,Kurmaev E. Z.,Borchers Ch,Zhidkov I. S.,Gunderov D. V.,Valiev R. Z.,Gavrilov N. V.,Cholakh S. O. // PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS. - 2015. - V. 252, l. 4. - P. 748-754.

ISSN/EISSN:

0370-1972 / 1521-3951

Type:

Article

Abstract:

The results of XPS measurements (core levels and valence bands) of P+, Ca+, P+Ca+ and Ca+P+ ion implanted (E = 30 keV, D = 1 x 10(17) cm(-2)) commercially pure titanium (cp-Ti) and first-principles density functional theory (DFT) calculations demonstrates formation of various structural defects in titanium dioxide films formed on the surface of implanted materials. We have found that for double implantation (Ti:P+, Ca+ and Ti:Ca+, P+) the outermost surface layer is formed mainly by Ca and P, respectively, i.e. the implantation sequence is very important. The DFT calculations show that under P+ and Ca+P+ ion implantation the formation energies for both cation (P-Ti) and anion (P-O) substitutions are comparable, which can induce the creation of {[}PO4](3-) and Ti-P species. For Ca+ and P+Ca+ ion implantation the calculated formation energies correspond to Ca2+-Ti4+ cation substitution. This conclusion is in agreement with XPS Ca 2p and Ti 2p core levels and valence-band measurements and DFT calculations of the electronic structure of related compounds. The conversion of implanted ions to Ca2+ and {[}PO4](3-) species provides a good biocompatibility of cp-Ti for further formation of hydroxyapatite. (C) 2014 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim

Author keywords:

DFT modelling; ion implantation; soft X-rays; surface modification; titanium; titanium dioxide CALCIUM; PHOSPHORUS; COATINGS; BONE; BIOMATERIALS; PHOSPHATES; SIMS; TI

DOI:

10.1002/pssb.201451362

Web of Science ID:

ISI:000352643900015

Соавторы в МНС:

Другие поля

Поле	Значение
Month	APR
Publisher	WILEY-V C H VERLAG GMBH
Address	BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
Language	English
EISSN	1521-3951
Keywords-Plus	CALCIUM; PHOSPHORUS; COATINGS; BONE; BIOMATERIALS; PHOSPHATES; SIMS; TI
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Author-Email	danil@hanyang.ac.kr
ResearcherID-Numbers	Boukhvalov, Danil/F-7517-2017 Zhidkov, Ivan/L-3543-2013 Efremov, Andrey/J-3524-2013 Korotin, Danila/J-4263-2013 Borchers, Christine/K-4295-2015 Kurmaev, Ernst/J-4254-2013 Cholakh, Seif/M-8221-2016
ORCID-Numbers	Zhidkov, Ivan/0000-0001-8727-4730 Efremov, Andrey/0000-0001-5713-0437 Korotin, Danila/0000-0002-9800-6552 Borchers, Christine/0000-0002-4805-7597 Kurmaev, Ernst/0000-0003-4625-4930 Cholakh, Seif/0000-0002-9313-6614 Gavrilov, Nikolai/0000-0003-1542-0107
Funding-Acknowledgement	Russian Scientific Foundation {[}14-22-00004]
Funding-Text	We acknowledge support of the Russian Scientific Foundation (Project 14-22-00004).
Number-of-Cited-References	42
Usage-Count-Last-180-days	3
Usage-Count-Since-2013	49
Journal-ISO	Phys. Status Solidi B-Basic Solid State Phys.
Doc-Delivery-Number	CF6CI