【摘 要】
:
Relativistic density functional calculations are performed to explore the promise of MAu16 (M=Si,Ge,and Sn) clusters as magic clusters and building blocks in de
【机 构】
:
College of Science, Hohai University, Nanjing 210098
论文部分内容阅读
Relativistic density functional calculations are performed to explore the promise of MAu16 (M=Si,Ge,and Sn) clusters as magic clusters and building blocks in developing cluster-assembled materials.C1 and Cs,two isomers of SiAu16,GeAu16 and SnAu16 with M (Ge or Sn) at the center of the cage,named,respectively,as SiAu16-C1,SiAu16-Cs,GeAu16-center,and SnAu16-center,are calculated to be the most stable.The Au-M bond should have both ionic and covalent characteristics.Their static linear polarizabilities and first-order hyperpolarizabilities are found to be sensitive to the delocalization of the valence electrons of the M atom,as well as their structures and shapes.
其他文献
我从1985年参加工作至今,亲眼见证了建筑机械租赁行业的发展历程。20世纪80年代前期,受计划经济体制的约束,工程建筑机械用户都是一种封闭的,自己自足、自我服务的模式,各大
“今天的好消息,水到了!”“真开心!”“我是朔庄省农民,感到高兴。”……网友“森琴”在越南快讯网留言说,“中国此举充满善意”,网友“国松”则留言,“对中国这一积极的行动表示欢迎,希望旱灾和海水入侵现象能因此有所改善。”“真替那里的同胞高兴,我希望这能减少农民的收成损失。”一位叫阮达的越南人在网上留言表达他的喜悦。不少越南民众在网络上留言,对2016年3月15日至4月10日中国的应急补水举措点赞,
塔式起重机作为建筑施工的主要设备,应用日益广泛,由于其工作臂长和工作高度高、起重量大的特性,也成为了施工现场的危险源,一旦发生事故,结果往往是机毁人亡,损失惨重。国
秦山核电三期项目反应堆筒体封顶混凝土模板--轻钢结构下穹顶,外形为由边缘和中部两个不同半径组成的球冠形,下口直径41.15 m,中部最高约6m(图1),安装高度约38.22m.吊装总重
植物自交不亲和性是指白花的正常花粉不能在自己的柱头上发芽,或者花粉发芽后花粉管不能穿透柱头,或者穿透柱头后花粉管不能继续延伸,或者花粉管延伸到达胚囊后精,卵细胞不
AlN solidly mounted resonators with silicone microfluidic systems vibrating in shear mode are fabricated and characterized.The fabrication process is compatible
A memory device Si/Al2 O3/Al2O3-Cu2O/Al2O3/Pt is fabricated by using atomic layer deposition and rf-magnetron sputtering techniques.The memory device including
We propose a series of modified hybrid plasmonic waveguide systems.It is found that their propagation distances and mode areas depend on their shapes notably.Th
更新设备时,新老设备的地脚螺栓孔位置常不一致,需要拆除旧的重做新基础.我单位在风机改造中采用钻孔法解决了这个问题.