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The effect of addition of a second metal to activation component and the support with different morphology on H2 dissociation on Ni/MgO catalyst was investigated using density functional theory. The results show that after addition of a second metal Fe, the metal-support interaction is increased in perfect MgO supported Ni catalyst while it is decreased in defective MgO supported Ni catalyst. Although...
It is investigated for the interactions of bimetal NiCo with MgO as well as its effects on the H adsorption and H2 dissociation using a density functional theory method. Two models, Ni2Co2 cluster supported on perfect MgO(001) and oxygen-vacancy MgO(001) are used to represent bimetal NiCo deposited on MgO catalysts. The results show that the Ni2Co2/MgO catalyst with oxygen-vacancy exhibits stronger...
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