Identification of single-atom-anchored g-CN as pH universal photo- and electro- catalysts for hydrogen evolution

Identifying efficient and low-cost catalysts for electrocatalytic and photocatalytic hydrogen evolution reaction (HER) is critical for renewable energies, yet it remains an immense challenge. Through density functional theory calculations, we systematically investigate the great potential of 30 single-atom catalysts (SACs), namely single-atom-anchored g-CN (M/g-CN), toward electrocatalytic and photocatalytic HER in all pH intervals. Through...