2D graphdiyne loading ruthenium atoms for high efficiency water splitting

Abstract The theoretical simulation indicates that the strong coupling between the Ru atoms and neighboring C atoms in GDY makes the Ru to be a unique electron-mediating-vehicle (EMV) for fast reversible redox-switching endowing the catalyst with excellent catalytic performances. Our experimental study is fully in accordance with the theoretical simulation, which shows that the high-activity and ultra-high selectivity of the Ru atomic catalyst. For example, Ru/GDY can deliver 10 mA cm−2 at a low overpotential of 44 mV and exhibits a very small Tafel slope of 30 mV dec−1, comparable to commercial Pt/C, in hydrogen evolution reaction (HER) in acidic conditions. We also found that Ru/GDY has higher catalytic activity and stability for oxygen evolution reaction (OER) than RuO2 in 0.5 M H2SO4 solutions.