Experimental and DFT studies on diesel-steam-reforming to hydrogen over a bimetallic Rh–Ni-based MgO-Al2O3 microsphere catalyst

Surface modification of 600-µm-sized monodisperse gamma-alumina microspheres into magnesium–aluminum spinel, and co-impregnation-based loading Rh–Ni (0.46 wt% Rh, 9.03 Ni) were performed to synthesize catalysts for diesel-steam-reforming hydrogen. The intimate interactions between Rh Ni, the formation alloy, Rh-doping-induced decrease in particle size Ni determined. DFT calculations results revealed that Rh-doped Ni(1 1 1) established remarkably weak bonds with oxygen-containing intermediates, reaction barrier rate-limiting step (CH2* + O* → CH2O*) on Rh–Ni(1 (0.76 eV) was lower than those (1.14 Rh(1 (1.56 eV). bimetallic catalyst shows enhanced activity resistance sintering carbon deposition compared Ni-based (9.33 Rh-based (0.47 Rh) catalysts. catalytic performance Rh–Ni-based superior physically mixed at similar active metal loadings, which further confirmed synergistic effect Rh–Ni.