Structural changes upon lithium insertion in Ni0.5TiOPO4
Identifieur interne : 000075 ( France/Analysis ); précédent : 000074; suivant : 000076Structural changes upon lithium insertion in Ni0.5TiOPO4
Auteurs : R. Essehli [France, Maroc] ; B. El Bali [Maroc] ; A. Faik [Espagne] ; S. Benmokhtar [Maroc] ; B. Manoun [Maroc] ; Y. Zhang [République populaire de Chine] ; X. J. Zhang [République populaire de Chine] ; Z. Zhou [République populaire de Chine] ; H. Fuess [Allemagne]Source :
- Journal of alloys and compounds [ 0925-8388 ] ; 2012.
Descripteurs français
- Pascal (Inist)
- Wicri :
- topic : Phosphate.
English descriptors
- KwdEn :
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 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.
Affiliations:
- Allemagne, Espagne, France, Maroc, République populaire de Chine
- District de Darmstadt, Hesse (Land), Pays de la Loire
- Darmstadt, Nantes, Tianjin
- Université de Nantes
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Pascal:12-0262806Le document en format XML
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TiOPO<sub>4 </sub>
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<author><name sortKey="Fuess, H" sort="Fuess, H" uniqKey="Fuess H" first="H." last="Fuess">H. Fuess</name>
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<s3>DEU</s3>
<sZ>9 aut.</sZ>
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<series><title level="j" type="main">Journal of alloys and compounds</title>
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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Coprecipitation</term>
<term>Crystal structure</term>
<term>Crystallographic site</term>
<term>Curie-Weiss law</term>
<term>Electrochemical properties</term>
<term>Electrode material</term>
<term>Intercalation compounds</term>
<term>Lithium battery</term>
<term>Magnetic susceptibility</term>
<term>Monocrystals</term>
<term>Phase transformations</term>
<term>Phosphates</term>
<term>Structural models</term>
<term>Synchrotron radiation</term>
<term>XRD</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Transformation phase</term>
<term>Coprécipitation</term>
<term>Diffraction RX</term>
<term>Site cristallographique</term>
<term>Propriété électrochimique</term>
<term>Rayonnement synchrotron</term>
<term>Susceptibilité magnétique</term>
<term>Loi Curie Weiss</term>
<term>Structure cristalline</term>
<term>Batterie lithium</term>
<term>Modèle structure</term>
<term>Phosphate</term>
<term>Matériau électrode</term>
<term>Monocristal</term>
<term>Composé insertion</term>
</keywords>
<keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Phosphate</term>
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<front><div type="abstract" xml:lang="en">Nickel titanium oxyphosphate Ni<sub>0.5</sub>
TiOPO<sub>4</sub>
(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<sub>1</sub>
/c[a =7.333(1) Å, b=7.316(2) Å, c=7.339(2) Å, β=119.62(3)°, Z=4, R<sub>1</sub>
=0.0142, wR<sub>2</sub>
=0.0429]. The structure might be described as a {TiOPO<sub>4</sub>
} framework made of corner-sharing [TiO<sub>6</sub>
]<sub> </sub>
octahedra chains running parallel to [001] and cross linked by phosphate [PO<sub>4</sub>
] 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<sup>-1</sup>
) of NTP, between 4 and 300 K, shows an almost linear behavior and can be fitted by the simple Curie-Weiss law.</div>
</front>
</TEI>
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<name sortKey="Zhang, X J" sort="Zhang, X J" uniqKey="Zhang X" first="X. J." last="Zhang">X. J. Zhang</name>
<name sortKey="Zhou, Z" sort="Zhou, Z" uniqKey="Zhou Z" first="Z." last="Zhou">Z. Zhou</name>
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