Manipulating the Water Dissociation Electrocatalytic Sites of Bimetallic Nickel-Based Alloys for Highly Efficient Alkaline Hydrogen Evolution

被引:264
作者
Wang, Jinsong [1 ]
Xin, Sisi [1 ]
Xiao, Yao [2 ]
Zhang, Zhengfu [1 ]
Li, Zhimin [1 ]
Zhang, Wang [3 ]
Li, Caiju [1 ]
Bao, Rui [1 ]
Peng, Jian [4 ]
Yi, Jianhong [1 ]
Chou, Shulei [2 ]
机构
[1] Kunming Univ Sci & Technol, Fac Mat Sci & Engn, Kunming 650093, Yunnan, Peoples R China
[2] Wenzhou Univ, Coll Chem & Mat Engn, Inst Carbon Neutralizat, Wenzhou 325035, Zhejiang, Peoples R China
[3] Shenzhen Univ, Coll Mat Sci & Engn, Shenzhen 518055, Peoples R China
[4] Univ Wollongong, Inst Superconducting & Elect Mat, Australian Inst Innovat Mat, Innovat Campus,Squires Way, North Wollongong, NSW, Australia
基金
中国国家自然科学基金;
关键词
Electrocatalysts; Hydrogen Evolution Reaction; Ni-Based Alloy; d-Band Center; OXIDATION; REACTIVITY; SURFACE; MEDIA;
D O I
10.1002/anie.202202518
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Transition-metal alloys are currently drawing increasing attention as promising electrocatalysts for the alkaline hydrogen evolution reaction (HER). However, traditional density-functional-theory-derived d-band theory fails to describe the hydrogen adsorption energy (Delta G(H)) on hollow sites. Herein, by studying the Delta G(H) for a series of Ni-M (M=Ti, V, Cr, Mn, Fe, Co, Cu, Zn, Mo, W) bimetallic alloys, an improved d-band center was provided and a potential NiCu electrocatalyst with a near-optimal Delta G(H) was discovered. Moreover, oxygen atoms were introduced into Ni-M (O-NiM) to balance the adsorption/desorption of hydroxyl species. The tailored electrocatalytic sites for water dissociation can synergistically accelerate the multi-step alkaline HER. The prepared O-NiCu shows the optimum HER activity with a low overpotential of 23 mV at 10 mA cm(-2). This work not only broadens the applicability of d-band theory, but also provides crucial understanding for designing efficient HER electrocatalysts.
引用
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页数:10
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