催化作用
电催化剂
析氧
氧气
氧化物
钙钛矿(结构)
费米能级
材料科学
电子结构
过渡金属
无机化学
化学物理
化学
纳米技术
物理化学
结晶学
计算化学
电化学
电极
物理
量子力学
电子
冶金
有机化学
生物化学
作者
Alexis Grimaud,Kevin J. May,Christopher E. Carlton,Yueh‐Lin Lee,Marcel Risch,Wonbin Hong,Jigang Zhou,Yang Shao‐Horn
摘要
The electronic structure of transition metal oxides governs the catalysis of many central reactions for energy storage applications such as oxygen electrocatalysis. Here we exploit the versatility of the perovskite structure to search for oxide catalysts that are both active and stable. We report double perovskites (Ln₀.₅Ba₀.₅)CoO(₃-δ) (Ln=Pr, Sm, Gd and Ho) as a family of highly active catalysts for the oxygen evolution reaction upon water oxidation in alkaline solution. These double perovskites are stable unlike pseudocubic perovskites with comparable activities such as Ba₀.₅Sr₀.₅Co₀.₈Fe₀.₂O(₃-δ) which readily amorphize during the oxygen evolution reaction. The high activity and stability of these double perovskites can be explained by having the O p-band centre neither too close nor too far from the Fermi level, which is computed from ab initio studies.
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