Atomic ruthenium modification of nickel-cobalt alloy for enhanced alkaline hydrogen evolution

Li，Liuqing1,2; Qiu，Haifa1; Zhu，Yanping1; Chen，Gao1; She，Sixuan1; Guo，Xuyun1; Li，Hao1; Liu，Tiancheng1; Lin，Zezhou1; Zhou，Hanmo1,3; Zhu，Ye1; Yang，Ming1; Xu，Baomin2; Huang，Haitao1

2023-08-15

10.1016/j.apcatb.2023.122710

Applied Catalysis B: Environmental   影响因子和分区

0926-3373

1873-3883

Density functional theory (DFT) is used to predict the behavior of ruthenium-doped nickel cobalt alloy in the alkaline hydrogen evolution reaction (HER). According to DFT calculation, a synergistic effect at the Ru-Ni/Co interface is generated to accelerate water dissociation and optimize the adsorption-desorption energetics toward the H intermediate. However, excessive Ru introduction will lead to over-strong hydrogen adsorption on the catalyst surface, thus limiting H release. As a proof of concept, we design a series of NiCoRu/SP, among which the optimized NiCoRu/SP electrocatalyst achieves an overpotential of 59 mV at 10 mA cm, while excessive Ru incorporation (NiCoRu/SP) diminishes the HER activity. X-ray absorption spectroscopy and other characterizations further confirm that the interface-induced electron transfer from atomic Ru to its surrounding Ni/Co, and the activity degradation caused by excessive Ru incorporation is attributed to the generation of Ru cluster that sacrifices the interface between Ru atom and Ni/Co.

Density functional theory Hydrogen evolution reaction Ru-decorated catalyst Synergistic effects Water splitting

SCI ; EI

英语

其他

Hong Kong Polytechnic University[1-YWB6];Hong Kong Polytechnic University[1-YY4A];Hong Kong Polytechnic University[1-ZE2F];

Chemistry ; Engineering

Chemistry, Physical ; Engineering, Environmental ; Engineering, Chemical

WOS:001053655600001

ELSEVIER

20231413853433

Atoms ; Cobalt alloys ; Design for testability ; Electrocatalysts ; Gas adsorption ; Hydrogen ; Nickel alloys ; X ray absorption spectroscopy

Nickel Alloys:548.2 ; Nonferrous Metals and Alloys excluding Alkali and Alkaline Earth Metals:549.3 ; Chemical Operations:802.3 ; Chemical Agents and Basic Industrial Chemicals:803 ; Chemical Products Generally:804 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

CHEMISTRY

2-s2.0-85151565178

Scopus

1.Department of Applied Physics,The Hong Kong Polytechnic University,Hung Hom,Kowloon,Hong Kong
2.Department of Materials Science and Engineering,Southern University of Science and Technology,Shenzhen,Nanshan District, Guangdong,China
3.Faculty of System Design and Intelligent Manufacturing,Southern University of Science and Technology,Shenzhen,Nanshan District, Guangdong,China

Li，Liuqing,Qiu，Haifa,Zhu，Yanping,et al. Atomic ruthenium modification of nickel-cobalt alloy for enhanced alkaline hydrogen evolution[J]. Applied Catalysis B: Environmental,2023,331.

Li，Liuqing.,Qiu，Haifa.,Zhu，Yanping.,Chen，Gao.,She，Sixuan.,...&Huang，Haitao.(2023).Atomic ruthenium modification of nickel-cobalt alloy for enhanced alkaline hydrogen evolution.Applied Catalysis B: Environmental,331.

Li，Liuqing,et al."Atomic ruthenium modification of nickel-cobalt alloy for enhanced alkaline hydrogen evolution".Applied Catalysis B: Environmental 331(2023).