Adsorption of small molecules on transition metal doped rhodium clusters Rh3X (X = 3d, 4d atom): a first-principles investigation

The adsorption behaviours of seven molecules (CO, CO2, N2, NO, O2, N2O and NO2) on Rh3X (X =Sc-Zn, Y-Cd) clusters are systematically investigated by density-functional calculations. Rh3X clusters e...