结合能
X射线光电子能谱
碱金属
过渡金属
金属
碱土金属
催化作用
无机化学
紧密结合
化学
材料科学
计算化学
电子结构
有机化学
原子物理学
物理
核磁共振
作者
Jean‐Charles Dupin,D. Gonbeau,Philippe Vinatier,A. Levasseur
摘要
The results of a systematic XPS study, under high controlled conditions, of different basic oxides of transition metals, alkali and alkaline-earth metals are presented; the XPS data of some hydroxides and peroxides are also reported. Variations of the O 1s binding energies are analysed and one point of interest is the large binding energy scale obtained for O 1s peaks all associated with a ‘‘2− ’’ formal charge. Through extended Hückel theory-tight binding (EHT-TB) calculations, attempts are made to rationalize the observed variations. The results illustrate the significant differences between real charges on oxygen atoms in transition metal and alkaline-earth oxides.
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