钌
催化作用
离解(化学)
电催化剂
电化学
材料科学
密度泛函理论
氧化钌
解吸
分解水
氧化物
无机化学
星团(航天器)
物理化学
化学
电极
计算化学
吸附
冶金
光催化
生物化学
计算机科学
程序设计语言
作者
Yanping Zhu,Ke Fan,Chia‐Shuo Hsu,Gao Chen,Changsheng Chen,Tiancheng Liu,Zezhou Lin,Sixuan She,Liuqing Li,Hanmo Zhou,Ye Zhu,Hao Ming Chen,Haitao Huang
标识
DOI:10.1002/adma.202301133
摘要
Abstract Guaranteeing satisfactory catalytic behavior while ensuring high metal utilization has become the problem that needs to be addressed when designing noble‐metal‐based catalysts for electrochemical reactions. Here, well‐dispersed ruthenium (Ru) based clusters with adjacent Ru single atoms (SAs) on layered sodium cobalt oxide (Ru/NC) are demonstrated as a superb electrocatalyst for alkaline HER. The Ru/NC catalyst demonstrates an activity increase by a factor of two relative to the commercial Pt/C. Operando characterizations in conjunction with density functional theory (DFT) simulations uncover the origin of the superior activity and establish a structure–performance relationship, that is, under HER condition, the real active species are Ru SAs and metallic Ru clusters supported on the NC substrate. The excellent alkaline HER activity of the Ru/NC catalyst can be understood by a spatially decoupled water dissociation and hydrogen desorption mechanism, where the NC substrate accelerates the water dissociation rate, and the generated H intermediates would then migrate to the Ru SAs or clusters and recombine to have H 2 evolution. More importantly, comparing the two forms of Ru sites, it is the Ru cluster that dominates the HER activity.
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