Role of Magnetism in Catalysis: RuO2 (110) Surface
Role of Magnetism in Catalysis: RuO2 (110) Surface
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DOI：
10.1021/jp4020367
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发表时间：
2013-03
影响因子：
3.7
通讯作者：
E. Torun;C. Fang;G. D. Wijs;R. D. Groot
中科院分区：
文献类型：
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作者：
E. Torun;C. Fang;G. D. Wijs;R. D. Groot
角动量似乎在其中一种反应物是磁性的化学反应中不守恒;因此，这种反应显示出高的活化势垒。一个例子是通过电解水生产氢：几乎所有的损失都发生在（磁性）氧的生产中。具有低过电压（损耗的量度）的阳极基于二氧化钌（110）表面。第一性原理电子结构计算表明，这个表面本身携带磁矩。这种磁性表面使得能够在基态下产生氧，同时保持角动量。
Angular momentum seems to not be conserved in chemical reactions where one of the reactants is magnetic; consequently, such reactions show a high activation barrier. An example is the production of hydrogen by electrolysis of water: practically all losses occur in the production of (magnetic) oxygen. Anodes with a low overvoltage (a measure of the losses) are based on the ruthenium dioxide (110) surface. First-principles electronic structure calculations show that this surface itself carries magnetic moments. This magnetic surface enables the production of oxygen in the ground state while conserving angular momentum.