Scalable synthesis of hcp ruthenium-molybdenum nanoalloy as a robust bifunctional electrocatalyst for hydrogen evolution/oxidation

Zhang，Zhen1,2; Liu，Haijun3; Ni，Liwen2; Zhao，Zhi Liang2; Li，Hui2

2022-09-01

10.1016/j.jechem.2022.04.043

Journal of Energy Chemistry   影响因子和分区

2095-4956

The hydrogen evolution reaction (HER) is the cathodic process of water splitting, and its reverse, the hydrogen oxidation reaction (HOR), is the anodic process of an H-O fuel cell; both play important roles in the development of hydrogen energy. The rational design and scalable fabrication of low-cost and efficient bifunctional catalysts for the HER/HOR are highly desirable. Herein, ultrasmall Mo-Ru nanoalloy (MoRu and MoRu) particles uniformly distributed on mesoporous carbon (MPC) were successfully synthesized by a simple method that is easy to scale up for mass production. After the incorporation of Mo atoms, the as-prepared MoRu and MoRu nanoalloys maintain a hexagonal-close-packed crystal structure. In acidic media, MoRu exhibits excellent Pt-like HER and HOR activity, as well as good stability. Density functional theory (DFT) calculations reveal that the H adsorption free energy (ΔG) on the MoRu (0 0 1) surface (−0.09 eV) is much closer to zero than that of metallic Ru (−0.22 eV), which contributes to the enhanced catalytic activity. In alkaline media, MoRu also presents outstanding HER and HOR activity, even significantly outperforming Pt/C. The DFT results confirm that optimal binding energies with H* and OH* intermediate species, and low energy barriers in the water dissociation and formation steps, efficiently accelerate the alkaline HER/HOR kinetics of MoRu. This study provides a new avenue for the scalable fabrication of high-efficiency bifunctional electrocatalysts for the HER and HOR in both acidic and alkaline media.

Fuel cell Hydrogen evolution reaction Hydrogen oxidation reaction Ruthenium Water splitting

SCI ; EI

英语

通讯

National Key Research and Development Program of China[2018YFB1502503];Shenzhen Graduate School, Peking University[KCXFZ202002011010317];Shenzhen Graduate School, Peking University[ZDSYS201603311013489];

Chemistry ; Energy & Fuels ; Engineering

Chemistry, Applied ; Chemistry, Physical ; Energy & Fuels ; Engineering, Chemical

WOS:000811245300005

ELSEVIER

20222412224416

Binary alloys ; Binding energy ; Catalyst activity ; Crystal atomic structure ; Density functional theory ; Design for testability ; Electrocatalysts ; Free energy ; Fuel cells ; Ruthenium alloys ; Ruthenium compounds

Precious Metals:547.1 ; Thermodynamics:641.1 ; Fuel Cells:702.2 ; Physical Chemistry:801.4 ; 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 ; Crystal Lattice:933.1.1

2-s2.0-85131764398

Scopus

1.School of Materials Science and Engineering,Harbin Institute of Technology,Harbin,Heilongjiang,150001,China
2.Department of Materials Science and Engineering,Shenzhen Key Laboratory of Hydrogen Energy,Southern University of Science and Technology,Shenzhen,Guangdong,518055,China
3.Department of Mechanical and Energy Engineering,Southern University of Science and Technology,Shenzhen,Guangdong,518055,China

Zhang，Zhen,Liu，Haijun,Ni，Liwen,et al. Scalable synthesis of hcp ruthenium-molybdenum nanoalloy as a robust bifunctional electrocatalyst for hydrogen evolution/oxidation[J]. Journal of Energy Chemistry,2022,72:176-185.

Zhang，Zhen,Liu，Haijun,Ni，Liwen,Zhao，Zhi Liang,&Li，Hui.(2022).Scalable synthesis of hcp ruthenium-molybdenum nanoalloy as a robust bifunctional electrocatalyst for hydrogen evolution/oxidation.Journal of Energy Chemistry,72,176-185.

Zhang，Zhen,et al."Scalable synthesis of hcp ruthenium-molybdenum nanoalloy as a robust bifunctional electrocatalyst for hydrogen evolution/oxidation".Journal of Energy Chemistry 72(2022):176-185.