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Zhai, Panlong; Xia, Mingyue; Wu, Yunzhen; Zhang, Guanghui; Gao, Junfeng; Zhang, Bo; Cao, Shuyan; Zhang, Yanting; Li, Zhuwei; Fan, Zhaozhong; Wang, Chen; Zhang, Xiaomeng; Miller, Jeffrey T.; Sun, Licheng; Hou, Jungang
Nature communications, 07/2021, Volume: 12, Issue: 1Journal Article
Abstract Rational design of single atom catalyst is critical for efficient sustainable energy conversion. However, the atomic-level control of active sites is essential for electrocatalytic materials in alkaline electrolyte. Moreover, well-defined surface structures lead to in-depth understanding of catalytic mechanisms. Herein, we report a single-atomic-site ruthenium stabilized on defective nickel-iron layered double hydroxide nanosheets (Ru 1 /D-NiFe LDH). Under precise regulation of local coordination environments of catalytically active sites and the existence of the defects, Ru 1 /D-NiFe LDH delivers an ultralow overpotential of 18 mV at 10 mA cm −2 for hydrogen evolution reaction, surpassing the commercial Pt/C catalyst. Density functional theory calculations reveal that Ru 1 /D-NiFe LDH optimizes the adsorption energies of intermediates for hydrogen evolution reaction and promotes the O–O coupling at a Ru–O active site for oxygen evolution reaction. The Ru 1 /D-NiFe LDH as an ideal model reveals superior water splitting performance with potential for the development of promising water-alkali electrocatalysts.
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