催化作用
氧气
析氧
Boosting(机器学习)
晶体结构
电导率
化学
材料科学
活化能
结晶学
物理化学
电化学
有机化学
电极
机器学习
计算机科学
作者
Chuanhui Zhu,Hao Tian,Bin Huang,Guohong Cai,Chongyang Yuan,Yutian Zhang,Yinle Li,Guangqin Li,Hu Xu,Man‐Rong Li
标识
DOI:10.1016/j.cej.2021.130185
摘要
A prototypical family of Ruddlesden−Popper (R-P) iridate oxides Srn+1IrnO3n+1 (n = 1, 2, and ∞) was investigated to intensify systematic understanding of the intrinsic activity of the bulk crystal structure on oxygen evolution reaction (OER). Compared with IrO2, these oxides contain less iridium and show higher catalytic activity. Especially, Sr3Ir2O7 (n = 2) displays enhanced activity of the optimum that is programmed by the dimensionality of the bulk crystal structure. As n decreased, a distinct d-band center downshift leads to weakened adsorption of oxygen intermediates, which accelerates the kinetics. Calculations also reveal an elevated conductivity in overall values from n = 1, 2 to ∞. Both the increased conductivity and optimized binding energy contribute the exceptional OER activity of Sr3Ir2O7. This work suggests a significant advance in understanding the relationship between intrinsic activity and the bulk crystal structure of R-P oxides.
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