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dc.contributor.advisor吴顺情
dc.contributor.author郑炎亭
dc.date.accessioned2018-12-05T01:46:24Z
dc.date.available2018-12-05T01:46:24Z
dc.date.issued2017-12-27
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/170374
dc.description.abstract锂离子电池因其高能量密度、高电极电位、稳定的循环性能以及环保友好性等显著优势,成为了备受关注的理想化学电池。而锂离子电池巨大的成功,也使得钠离子电池及其电极材料的研究在近年来得到了广泛关注。钼的氟化物有望利用其多个氧化还原电对的特性来实现多电子可逆交换,从而实现锂/钠离子电池更高的可逆比容量。同时由于“诱导效应”的影响,强电负性的氟元素可显著提高过渡金属的氧化还原电位,从而提高电池的工作电压。基于这些方面的因素来看,MoF6有望为一类新颖的锂/钠离子电池正极材料。 本文基于键价力场模型(BondValence-basedforcefieldmodel)构造相互作用势,勘探材料结构中的势能曲面...
dc.description.abstractDue to its high energy density, high electrode potential, good cycle performance and environmentally friendliness,lithium-ion battery has received considerable attention as an ideal chemical battery. The great success of the lithium-ion battery, making the research of sodium ion battery and corresponding electrode material have also gained a wide range of attention in recent years. Molybdenum fluo...
dc.language.isozh_CN
dc.relation.urihttps://catalog.xmu.edu.cn/opac/openlink.php?strText=58337&doctype=ALL&strSearchType=callno
dc.source.urihttps://etd.xmu.edu.cn/detail.asp?serial=61536
dc.subject键价力场
dc.subjectMoF6
dc.subject碱金属离子电池
dc.subject正极材料
dc.subject结构预测
dc.subjectBond Valence-based force field
dc.subjectMoF6
dc.subjectAlkali-ion battery
dc.subjectCathode
dc.subjectStructure prediction
dc.title碱金属离子电池正极材料MoF6的计算模拟研究
dc.title.alternativeComputational simulation research on alkali-ion battery cathode MoF6
dc.typethesis
dc.date.replied2017-05-22
dc.description.note学位:理学硕士
dc.description.note院系专业:物理科学与技术学院_凝聚态物理
dc.description.note学号:19820141152964


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