Chemical bond in FexTiSe2 intercalation compounds: dramatic influence of Fe concentration / Shkvarin Alexey S.,Yarmoshenko Yury M.,Merentsov Alexander I.,Shkvarina Elena G.,Suslov Evgeny A.,Brezhestovsky Michael S.,Bushkova Olga V.,Titov Alexander N. // RSC ADVANCES. - 2016. - V. 6, l. 108. - P. 106527-106539.

ISSN/EISSN:

2046-2069 / нет данных

Type:

Article

Abstract:

The introduction of 3d transition metals into the van der Waals gaps of titanium dichalcogenides with layered structures gives rise to an interesting family of intercalation compounds, the physical properties of which differ substantially from those of the host compound due to ``host-guest{''} and ``guest-guest{''} interactions, resulting in ordering of the intercalated metal. FexTiSe2 is one of the most intriguing of such intercalation compounds due to its special electronic and magnetic properties. In this paper, the influence of the iron concentration on the crystal structure, electronic structure and chemical bond in the FexTiSe2 intercalation compounds is studied across a wide composition range (0 <= x <= 0.50) within the homogeneous region of the system. Photoelectron, resonance photoelectron and X-ray absorption spectroscopy methods were combined with thermodynamic electromotive force (EMF) measurements for the Li vertical bar Li+vertical bar FexTiSe2 cell in order to monitor the Fermi energy concentration dependence. The electronic structure changed substantially as the Fe content increased. A proposed model of the FexTiSe2 electronic structure transformation implies that iron atoms form Ti-Fe-Ti bonds at x < 0.40, but that Fe-Fe bonds prevail at x >= 0.40 when nanoscale iron chains appear in the van der Waals gap.

Author keywords:

TRANSITION-METAL DICHALCOGENIDES; MAGNETIC-PROPERTIES; RESONANT-PHOTOEMISSION; LITHIUM INTERCALATION; ELECTRONIC-PROPERTIES; TITANIUM DISELENIDE; CATHODE MATERIALS; SOLID-STATE; TISE2; BATTERIES

DOI:

10.1039/c6ra16857d

Web of Science ID:

ISI:000389330700055

Соавторы в МНС:

Другие поля

Поле	Значение
Publisher	ROYAL SOC CHEMISTRY
Address	THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Language	English
Keywords-Plus	TRANSITION-METAL DICHALCOGENIDES; MAGNETIC-PROPERTIES; RESONANT-PHOTOEMISSION; LITHIUM INTERCALATION; ELECTRONIC-PROPERTIES; TITANIUM DISELENIDE; CATHODE MATERIALS; SOLID-STATE; TISE2; BATTERIES
Research-Areas	Chemistry
Web-of-Science-Categories	Chemistry, Multidisciplinary
Author-Email	shkvarin@imp.uran.ru
ResearcherID-Numbers	Yarmoshenko, Yuri/E-9531-2011 Titov, Alexander/K-4328-2013 Shkvarin, Alexey/J-4275-2013 Shkvarina, Elena/J-7345-2013
ORCID-Numbers	Yarmoshenko, Yuri/0000-0001-8971-2052 Titov, Alexander/0000-0003-3636-2604 Shkvarin, Alexey/0000-0002-3774-5669 Shkvarina, Elena/0000-0002-4693-0313 Suslov, Eugeniy/0000-0001-9078-7588
Funding-Acknowledgement	RFBR {[}14-03-00274, 01201463326, 01201463330]
Funding-Text	The research was carried out within the state assignment of FASO of Russia (theme ``Electron{''} No. 01201463326 and theme ``Spin{''} No. 01201463330) and the Ministry of Education and Science of Russia, supported in part by RFBR (project No. 14-03-00274). This work has been (partly) done using facilities of the Shared Service Centre ``Ural-M{''
Number-of-Cited-References	85
Usage-Count-Last-180-days	6
Usage-Count-Since-2013	14
Journal-ISO	RSC Adv.
Doc-Delivery-Number	EE1HD