The charge density difference analysis shows that there is strong accumulation of electrons between O2* to Au and Ce3+ (Figure 5c), indicative of formation of a strong bond. This bonding is not possible on Au/CeO2−x(111), essentially because of the repulsive force between O2 and the surface O in the top layer. The result is that O2 adsorption is inhibited on Au/CeO2−x(111). 对于这句话 我有两个你怎么明白的地方：
1. 从差分密度我们可以得到电荷的转移，但是为什么可以表示成键的问题呢？
2. 氧气和表面上的氧原子为什么有排斥力呢？
作者Author: root 时间: 2015-12-29 22:47
1: strong accumulation of electrons between O2* to Au and Ce3+ (Figure 5c)，这里“电子积累”和“成键”就是同义词