Show simple item record

dc.contributor.authorLiu, HYzh_CN
dc.contributor.authorHou, ZFzh_CN
dc.contributor.authorZhu, ZZzh_CN
dc.contributor.authorHuang, MCzh_CN
dc.contributor.authorYang, Yzh_CN
dc.contributor.author杨勇zh_CN
dc.date.accessioned2013-12-12T02:12:44Z
dc.date.available2013-12-12T02:12:44Z
dc.date.issued2004-08zh_CN
dc.identifier.citationChemical Journal of Chinese Universities-Chinese, 2004,25(8):1521-1524zh_CN
dc.identifier.issn0251-0790zh_CN
dc.identifier.otherWOS:000223524600036zh_CN
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/62309
dc.description.abstractAn ab initio calculation method with plane-wave basis and norm-conserving pseudopotentials was employed to investigate the electronic structures and formation energies of lithium substitutions in InSb in several cases. The changes of volumes, charge densities, band structures and electronic density of states for the lithium substitutions in InSb were discussed. The results show that the formation energies of lithium substitutions in zinc-blende InSb were all around -2.2 eV per Li atom, this results also indicate that the substitution of Li can not occur at the early stage of insertion when Li is not yet intercalated into the clearance space of InSb, which are in consistent with those of experiments.zh_CN
dc.language.isoen_USzh_CN
dc.subjectION BATTERIESzh_CN
dc.subjectINSERTIONzh_CN
dc.subjectPRINCIPLESzh_CN
dc.subjectELECTRODESzh_CN
dc.subjectFEATURESzh_CN
dc.subjectOXIDESzh_CN
dc.subjectSTATEzh_CN
dc.titleAb initio calculation of the formation energies of lithium substitutions in InSbzh_CN
dc.typeArticlezh_CN


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record