Potential of transition metal atoms embedded in buckled monolayer g-C3N4as single-atom catalysts

We use first-principles calculations to systematically explore the potential of transition metal atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) embedded in buckled monolayer g-C₃N₄as single-atom catalysts.