Nanoporous Graphene with Single-Atom Nickel Dopants: An Efficient and Stable Catalyst for Electrochemical Hydrogen Production

Single-atom nickel dopants anchored to three-dimensional nanoporous graphene can be used as catalysts of the hydrogen evolution reaction (HER) in acidic solutions. In contrast to conventional nickel-based catalysts and graphene, this material shows superior HER catalysis with a low overpotential of approximately 50 mV and a Tafel slope of 45 mV dec^-1 in 0.5 M H₂SO₄ solution, together with excellent cycling stability. Experimental and theoretical investigations suggest that the unusual catalytic performance of this catalyst is due to sp-d orbital charge transfer between the Ni dopants and the surrounding carbon atoms. The resultant local structure with empty C-Ni hybrid orbitals is catalytically active and electrochemically stable.