NickelMaghrebV1, Main, Exploration, bibRecord, 000267

Structural changes upon lithium insertion in Ni0.5TiOPO4

Identifieur interne : 000267 ( Main/Exploration ); précédent : 000266; suivant : 000268

Structural 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.

RBID : Pascal:12-0262806

Descripteurs français

Pascal (Inist)
- Transformation phase, Coprécipitation, Diffraction RX, Site cristallographique, Propriété électrochimique, Rayonnement synchrotron, Susceptibilité magnétique, Loi Curie Weiss, Structure cristalline, Batterie lithium, Modèle structure, Phosphate, Matériau électrode, Monocristal, Composé insertion.
Wicri :
- topic : Phosphate.

English descriptors

KwdEn :
- Coprecipitation, Crystal structure, Crystallographic site, Curie-Weiss law, Electrochemical properties, Electrode material, Intercalation compounds, Lithium battery, Magnetic susceptibility, Monocrystals, Phase transformations, Phosphates, Structural models, Synchrotron radiation, XRD.

Abstract

Nickel titanium oxyphosphate Ni_0.5TiOPO₄ (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:

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Le document en format XML

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TiOPO<sub>4 </sub>
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<affiliation wicri:level="1"><inist:fA14 i1="05"><s1>Laboratoire de Physico-Chimie des Matériaux, Département de Chimie, FST Errachidia, University Moulay Ismail, B.P. 509 Boutalamine</s1>
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<affiliation wicri:level="1"><inist:fA14 i1="06"><s1>Institute of New Energy Material Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Nankai University</s1>
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<author><name sortKey="Zhou, Z" sort="Zhou, Z" uniqKey="Zhou Z" first="Z." last="Zhou">Z. Zhou</name>
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<sZ>6 aut.</sZ>
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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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<country name="Espagne"><noRegion><name sortKey="Faik, A" sort="Faik, A" uniqKey="Faik A" first="A." last="Faik">A. Faik</name>
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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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<country name="Allemagne"><region name="Hesse (Land)"><name sortKey="Fuess, H" sort="Fuess, H" uniqKey="Fuess H" first="H." last="Fuess">H. Fuess</name>
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Structural changes upon lithium insertion in Ni0.5TiOPO4

Structural changes upon lithium insertion in Ni0.5TiOPO4

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Abstract

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