过电位
析氧
密度泛函理论
催化作用
杂原子
材料科学
分解水
化学工程
合理设计
兴奋剂
解吸
纳米技术
化学
计算化学
电化学
物理化学
吸附
电极
有机化学
工程类
光催化
光电子学
戒指(化学)
作者
Yan Liang,Bing Zhang,Zhonggang Liu,Junlu Zhu
标识
DOI:10.1016/j.cej.2020.126198
摘要
The development of highly active and low-cost oxygen evolution reaction (OER) electrocatalysts is pivotal for the efficient generation of renewable hydrogen but still challenging. Heteroatom doping and oxygen vacancy (Ov) engineering are effective strategies to regulate the physical and chemical properties of the catalysts and thus facilitating the intermediates absorption/desorption. Herein, the rational design of Cu doping CoOOH porous nanoplates with rich Ov grown on carbon fiber paper (Cu-CoOOH/CFP) is performed to enhance the OER performance. Experiment results and density functional theory (DFT) calculations uncovered that the synergistic effect of Cu doping with Ov exceptionally modulated the electronic structure of Cu-CoOOH/CFP so that enormously facilitates the (O–H)* bond cleavage and optimize the Gibbs free energies of OER intermediates, thus contributing to fast kinetics and outstanding OER activity. As expected, the optimized three-dimensional (3D) self-supported Cu-CoOOH/CFP with unique porous structure shows unprecedented OER activity with a low overpotential of 234 mV to attain a current density of 10 mA cm−2, as well as superior stability in 1.0 M KOH. This work provides an effective electronic engineering approach for the rational design of nonprecious-metal and efficient electrocatalysts for water oxidation and beyond.
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