晶体中原子间成键能力的计算及Fe,Co,Ni触媒作用分析  

Calculation of bond formation power between atoms in crystal and analysis of catalytic action of Fe, Co and Ni

作　　者：张建民[1] 

机构地区：[1]陕西师范大学物理学系,陕西西安710062

出　　处：《陕西师大学报（自然科学版）》1999年第3期38-40,共3页Journal of Shaanxi Normal University(Natural Science Edition)

基　　金：国家自然科学基金

摘　　要：将固体与分子经验电子理论和 Ｐａｕｌｉｎｇ 共价键理论相结合，提出了计算晶体原子间成键能力的方法，并计算出常用的 ３ 种触媒 Ｆｅ， Ｃｏ， Ｎｉ原子间的成键能力分别为 ２９１１ １， ２９５５ ３， ２９５６ ４．A computed method of the bond formation power between atoms in crystal was presented with combination of both Yu′s “The empirical electron theory of solids and molecules” and Pauling′s covalence bond theory. The bond formation powers between atoms in Fe, Co, Ni, which were commonly used as catalyst, during transformation from graphite to diamond are computed as 2.9111, 2.9553, 2.9564, respectively.

关 键 词：成键能力 晶体 触媒作用 原子间 铁 钴 镍 

分 类 号：O742.1[理学—晶体学]