Structural changes upon lithium insertion in Ni0.5TiOPO4

被引：23

作者：

Essehli, R. ^{[1
,2
]}

El Bali, B. ^{[1
]}

Faik, A. ^{[3
]}

Benmokhtar, S. ^{[4
]}

Manoun, B. ^{[5
]}

Zhang, Y. ^{[6
]}

Zhang, X. J. ^{[6
]}

Zhou, Z. ^{[6
]}

Fuess, H. ^{[7
]}

机构：

[1] Univ Mohamed I, Fac Sci, Dept Chem, LMSAC, Oujda 60000, Morocco

[2] Univ Nantes, IN2P3, CNRS, SUBATECH,Ecole Mines Nantes,Unite Mixte Rech 6457, F-44307 Nantes 3, France

[3] CIC Energigune, Minano 01510, Alava, Spain

[4] Fac Sci Ben MSIK, Dept Chim, LCMS, Casablanca, Morocco

[5] Univ Moulay Ismail, FST Errachidia, Dept Chim, Lab Physicochim Mat, Errachidia, Morocco

[6] Nankai Univ, Minist Educ, Key Lab Adv Energy Mat Chem, Inst New Energy Mat Chem, Tianjin 300071, Peoples R China

[7] Tech Univ Darmstadt, D-64287 Darmstadt, Germany

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2012年 / 530卷

关键词：

Oxyphosphate; In situ synchrotron diffraction; Lithium ion batteries; Magnetic measurements; CRYSTAL-STRUCTURE; STRUCTURE REFINEMENT; TITANIUM PHOSPHATES;

D O I：

10.1016/j.jallcom.2012.03.103

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Nickel titanium oxyphosphate Ni0.5TiOPO4 (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) angstrom, b = 7.316(2) angstrom, c = 7.339(2) angstrom, beta = 119.62(3)degrees, Z = 4, R-1 = 0.0142, wR(2) = 0.0429]. The structure might be described as a {TiOPO4} framework made of corner-sharing [TiO6] octahedra chains running parallel to [0 0 1] and cross linked by phosphate [PO4] 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 (chi(-1)) of NTP, between 4 and 300 K, shows an almost linear behavior and can be fitted by the simple Curie-Weiss law. (C) 2012 Elsevier B. V. All rights reserved.

引用

页码：178 / 185

页数：8

共 34 条

[1] Structural and lithium intercalation studies of Mn(0.5-x)CaxTi2(PO4)3 phases (0≤x≤0.50) [J].