过电位
催化作用
氧化剂
过氧化氢
钙钛矿(结构)
电化学
氧化物
法拉第效率
电解
材料科学
阳极
电解水
金属
化学
无机化学
物理化学
电极
结晶学
有机化学
电解质
冶金
作者
Jihyun Baek,Jin Qiu,Nathan S. Johnson,Yue Jiang,Ning Rui,Apurva Mehta,Samira Siahrostami,Xiaolin Zheng
标识
DOI:10.1038/s41467-022-34884-4
摘要
Electrochemical two-electron water oxidation reaction (2e-WOR) has drawn significant attention as a promising process to achieve the continuous on-site production of hydrogen peroxide (H2O2). However, compared to the cathodic H2O2 generation, the anodic 2e-WOR is more challenging to establish catalysts due to the severe oxidizing environment. In this study, we combine density functional theory (DFT) calculations with experiments to discover a stable and efficient perovskite catalyst for the anodic 2e-WOR. Our theoretical screening efforts identify LaAlO3 perovskite as a stable, active, and selective candidate for catalyzing 2e-WOR. Our experimental results verify that LaAlO3 achieves an overpotential of 510 mV at 10 mA cm-2 in 4 M K2CO3/KHCO3, lower than those of many reported metal oxide catalysts. In addition, LaAlO3 maintains a stable H2O2 Faradaic efficiency with only a 3% decrease after 3 h at 2.7 V vs. RHE. This computation-experiment synergistic approach introduces another effective direction to discover promising catalysts for the harsh anodic 2e-WOR towards H2O2.
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