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dc.contributor.authorHu, C. H.zh_CN
dc.contributor.authorYang, Y.zh_CN
dc.contributor.author杨勇zh_CN
dc.contributor.authorZhu, Z. Z.zh_CN
dc.date.accessioned2011-04-26T08:05:14Z
dc.date.available2011-04-26T08:05:14Z
dc.date.issued2009-08zh_CN
dc.identifier.citationSOLID STATE SCIENCES,2009,11(11):1898-1902zh_CN
dc.identifier.issn1293-2558zh_CN
dc.identifier.urihttp://dx.doi.org/doi:10.1016/j.solidstatesciences.2009.07.020zh_CN
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/3319
dc.description.abstractThe structural and electronic properties of anode materials LiMN (M = Ni, Co, Cu) for lithium ion batteries have been studied by the first-principles method. The calculations reveal different bonding characteristics for LiMN (M = Ni, Co, Cu). The Li-N bond on the LiN planes shows covalent mixed with ionic characters, with the covalent interaction strengthened and ionic one weakened gradually from LiNiN to LiCoN and then to LiCuN. In the direction of N-M chains, the bonding characteristics are analogous on the whole. The N-M bonding shows both ionic and covalent characters again, while the covalent interaction slightly weakened in sequence. Electronic structure calculations suggest that LiMN (M = Ni, Co, Cu) are where the LiNiN is of anisotropic conductivity along the directions of N-Ni chains, while for all metallic, LiCoN and LiCuN, electrons can also be feebly conductive on the LiN planes besides along the linear N-Co and N-Cu chains. (C) 2009 Elsevier Masson SAS. All rights reserved.zh_CN
dc.description.sponsorshipNational Natural Science Foundation of China [10774124]; National 973 Program of China [2007CB209702]zh_CN
dc.language.isoenzh_CN
dc.publisherELSEVIER SCIENCE BVzh_CN
dc.subjectElectronic propertieszh_CN
dc.subjectStructural propertieszh_CN
dc.subjectLiMN (M = Ni, Co, Cu)zh_CN
dc.subjectAb initio studyzh_CN
dc.titleStructural and electronic properties of lithium ion battery anode material LiMN (M = Ni, Co, Cu)zh_CN
dc.typeArticlezh_CN


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