Determination of Metal-Oxygen Bond Strength in Oxide Catalysts

本项目的目的是获得作为选择性氧化催化剂的氧化物中金属-氧键强度的定量值。要研究的初始系统由一层氧化钒支撑在钛或氧化铝上组成。微分还原热是用量热计测定的，以便观察还原热作为还原程度的函数的变化。振动光谱学（如果可能的话，在用于量热法的相同样品上）将用于确定结构中不同氧被还原的顺序。有希望的是，光谱将对应于已知的结构，其键可以从文献值中分配，但是，如果出现不寻常的键，将使用x射线分析来分配结构。表面氧键强度应该是设计选择性氧化催化剂的关键参数，特别是在特种化学品生产中。这些数据也与摩擦学、粘附和半导体钝化有关。

The objective of this project is to obtain quantitative values for metal-oxygen bond strengths in oxides used as selective oxidation catalysts. The initial systems to be studied consist of a monolayer of vanadium oxide supported on titania or alumina. Differential heats of reduction are determined using a calorimeter in order to observe changes in heats of reduction as a function of extent of reduction. Vibrational spectroscopy (if possible, on the same samples used for calorimetry) will be used to identify the order in which different oxygens in the structure are reduced. Hopefully, the spectra will correspond to known structures whose bonds can be can be assigned from literature values, but, if unusual bonds appear, X-ray analysis will be used to assign the structures. Surface oxygen bond strengths should be a key parameter for the design of selective oxidation catalysts, specifically for specialty chemical production. The data is also relevant in tribology, adhesion, and passivation of semiconductors.