Essehli, R. and El Bali, B. and Faik, A. and Benmokhtar, S. and Manoun, B. and Zhang, Y. and Zhang, X.J. and Zhou, Z. and Fuess, H. (2012) Structural changes upon lithium insertion in Ni 0.5TiOPO 4. Journal of Alloys and Compounds, 530. pp. 178-185.

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Nickel titanium oxyphosphate Ni 0.5TiOPO 4 (NTP), was prepared by co-precipitation route. Its structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system, S.G: P2 1/c a = 7.333(1), b = 7.316(2), c = 7.339(2), β = 119.62(3)°, Z = 4, R 1 = 0.0142, wR 2 = 0.0429. The structure might be described as a {TiOPO 4} framework made of corner-sharing TiO 6 octahedra chains running parallel to 0 0 1 and cross linked by phosphate PO 4 tetrahedral, where half of octahedral cavities created are occupied by Ni atoms, and the other half of octahedral sites are vacant. During the first discharge, the NTP electrode delivered a capacity of 530 mAh/g, upon cycling within 0.5-4 V. To understand the electrochemical reaction mechanism using different characterization techniques viz. in situ synchrotron diffraction. Reciprocal magnetic susceptibility (χ -1) of NTP, between 4 and 300 K, shows an almost linear behavior and can be fitted by the simple Curie-Weiss law. © 2012 Elsevier B.V. All rights reserved.

Item Type: Article
Uncontrolled Keywords: Characterization techniques; Curie Weiss law; Electrochemical reactions; First discharge; In-situ synchrotrons; Linear behavior; Lithium insertion; Lithium-ion battery; Monoclinic systems; Ni atoms; Nickel titanium; Octahedral sites; Oxyphosphates; Single crystal x-ray diffraction; Structural change; TiO, Lithium; Lithium compounds; Magnetic susceptibility; Magnetic variables measurement; Single crystals; Titanium; X ray diffraction, Precipitation (chemical)
Subjects: Engineering
Divisions: SCIENTIFIC PRODUCTION > Engineering
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:47

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