Shui-Yang Fang's research while affiliated with Zhejiang University of Technology and other places
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Publications (3)
We employed density functional theory to investigate Co-N4/Gra single-atom catalysts, focusing on the modification of axial ligand (X=-F, -CN and -C3H4N2) and examined the influence of ligand field and electric potential on eNORR. Our results demonstrate that Co-N4[X]/Gra exhibit favorable thermodynamic adsorption (ΔG *NO < 0) and remarkable activa...
