Manipulating the electronic structure of Ni electrocatalyst through d-p orbital hybridization induced by B-doping for efficient alkaline hydrogen oxidation reaction

Developing highly efficient platinum-group-metal-free electrocatalysts towards hydrogen oxidation reaction (HOR) under alkaline electrolyte is critical for the development of exchange member fuel cells. Herein, we reported synthesis boron doped Ni electrocatalyst (B-Ni/C) and its remarkable HOR performance, with a 10-fold mass activity enhancement compared that undoped catalyst. Experimental results density functional theory calculations indicate d-p hybridization between p orbital B d via B-doping could lead to promoted OH adsorption optimized binding energy on surface, which together reduced formation water species, contributes enhanced performance electrolyte.