摘要
由于Fe,Co,Ni元素密集面上的原子与石墨层面上单号原子间距相近,常用作触媒,使石墨在较低压力和温度下直接转化为金刚石,异相界面上电子密度的大小和差异直接影响其结合能力.笔者应用余瑞璜教授的固体与分子经验电子理论,对Fe,Co,Ni,C的价电子结构进行了键距差(BLD)分析,发现γ-Fe处于B种杂化第12阶, Co 在第12 阶,Ni在第10 阶,C在第6 阶.计算出γ-Fe(111),Co(0001),Ni(111),C(0001)晶面的平均共价电子密度(简称电子密度)分别为38.272 8 nm - 2,54.603 5 nm - 2,54.766 6 nm - 2,76.334 0 nm - 2.作为触媒,Co 和Ni优于Fe.
Fe,Co and Ni are used as catalysts to transform graphite to diamond at lower pressure and temperature because of the distance of atoms on their close packed face and odd number atoms on graphite layer. However,the electron densities of bi phase interface influence cohesive directly. Based on “The Empirical Electron Theory of Solid and Molecules”, the valence electron structures of Fe, Co, Ni and C are discussed by BLD (bond length difference) method. The both of the γ Fe and Co are on 12th of B type, Ni on 10th of B type and C on 6th. The average covalent electron densities are 38.272 8 nm -2 , 54.603 5 nm -2 , 54.766 6 nm -2 ,76.334 0 nm -2 respectively. As catalysts, Co and Ni are better than Fe.
出处
《陕西师范大学学报（自然科学版）》
CAS
CSCD
北大核心
1999年第4期36-40,共5页
Journal of Shaanxi Normal University：Natural Science Edition
基金
国家自然科学基金!(59571031)
