Abstract
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: P21/c [a=7.333(1)Å, b=7.316(2)Å, c=7.339(2)Å, β=119.62(3)°, Z=4, R1=0.0142, wR2=0.0429]. The structure might be described as a {TiOPO4} framework made of corner-sharing [TiO6] octahedra chains running parallel to [001] 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 530mAh/g, upon cycling within 0.5–4V. 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 300K, shows an almost linear behavior and can be fitted by the simple Curie–Weiss law.
Highlights
The rapid advances of science and technology became the engine for great industrial and economic growth
As to continue the investigations on such materials, we recently reported on Co0.5TiOPO4 [23] and on the core–shell Ni0.5TiOPO4/C composites as anode materials in Li/Ni O distances [dav (Li) ion batteries [24], which was published by Maher et al [25], with a better capacity of 276 mAh/g [24]
The [TiO6] groups in NTP show their typical KTP-type distortion mode, in which the titanium atom makes a nominal displacement from the center of its octahedron along a Ti O bond axis, which results in short (1.713 A ) bond formed between Ti and O(1)
Summary
The rapid advances of science and technology became the engine for great industrial and economic growth. As to continue the investigations on such materials, we recently reported on Co0.5TiOPO4 [23] and on the core–shell Ni0.5TiOPO4/C composites as anode materials in Li ion batteries [24], which was published by Maher et al [25], with a better capacity of 276 mAh/g [24] According to these studies, oxyphosphates M0.5TiOPO4 (M = 3d2+ ion) could act as electrodes for lithium batteries that provide high energy density. Oxyphosphates M0.5TiOPO4 (M = 3d2+ ion) could act as electrodes for lithium batteries that provide high energy density An analysis of their crystal structures shows that, hypothetically, up to three lithium atoms could be inserted per formula unit, generating an initial practical capacity of 434 mAh/g, which suggest that such phases could be used in low voltage, high energy density cells [22,23,24,25]. We took on account our own data (see deposited crystal data deposited by ICSD [CCDC 417788]) in the calculations and correlations
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