Show simple item record

dc.contributor.author谭凯
dc.contributor.author林梦海
dc.contributor.author吴玮
dc.contributor.author郑兰荪
dc.contributor.author张乾二
dc.date.accessioned2016-05-17T02:56:43Z
dc.date.available2016-05-17T02:56:43Z
dc.date.issued1999
dc.identifier.citation高等学校化学学报,1999,(4):105-109
dc.identifier.issn0251-0790
dc.identifier.otherGDXH904.025
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/107815
dc.description.abstract用量子化学AbInITIO方法研究激光等离子体反应生成的TInP+M簇离子,优化了其可能的几何构型.TIP+M簇离子中,钛连接两个磷原子形成平面体系,TIP+4和TIP+6是较稳定构型.TI2P+4~TI2P+8呈现一条生长螺线,随着磷原子数目的增加,磷原子构型逐步从四边形和五边形过渡到八面体和立方体等.钛易与磷形成多钛磷化物,其中三钛、四钛磷化物较稳定
dc.description.abstractThe cluster ions Ti\-\{\%n\%\}P\++\-\{\%m\%\} generated by laser plasma reaction have been studied by using quantum chemistry \%ab initio\% method.The possible geometric structures were examined and optimized.For TiP\++\-\{\%m\%\}, titanium atom tends to combine with two phosphorus atoms to form planar systems, while TiP\++\-4 and TiP\++\-6 are more stable than another.There is one growing helix for Ti\-2P\++\-4\_Ti\-2P\++\-8, the number of phosphorus atoms between two titanium atoms grows from four to eight, and these phosphorus take the shapes of tetrahedron, pentagon, octahedron or cube, etc.It is found that Ti\-3P\++\-\{\%m\%\} and Ti\-4P\++\-\{\%m\%\} in many titanium phosphide are more stable. \=
dc.description.sponsorship国家自然科学基金;国家教育部博士点基金
dc.language.isozh_CN
dc.subject钛磷化物
dc.subject团簇离子
dc.subject等离子体反应
dc.subject从头算
dc.subjectTitanium phosphorus compound
dc.subjectCluster ions
dc.subjectPlasma reaction
dc.subject\%Ab initio\%
dc.title原子团簇离子Ti_nP_m--+的几何结构与电子性质研究
dc.title.alternativeA Theoretical Study on Geometric Structures and \=Electronic Properties of Cluster Ions Ti\-\{\%n\%\}P\++\-\{\%m\%\}
dc.typeArticle


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record