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- W2055149034 abstract "The mechanisms of CO2-reforming of methane on Cu(111), Ni(111), Pd(111), Pt(111), Rh(111), Ru(001), Ir(111) and Fe(110) have been investigated by the the unity bond index-quadratic exponential potential (UBI-QEP) method. This method was named as the bond order conservation Morse potential (BOC-MP) approach before, but it has been generalized and renamed now. The heats of chemisorption (Q) for all involved adspecies, activation barriers (ΔE) and enthalpy changes (ΔH) for forward and reverse reactions were evaluated. The calculations indicated that both the dissociation of CH4 and the dissociation of CO2 are rate-determining steps and that they are promoted by each other. A small amount of OH radical may account for the lower activity for the CO2-reforming of methane. The activity sequence of catalysts is Fe>Ni>Rh>Ru>Ir>Pd>Pt>Cu. The most appropriate catalyst for CO2-reforming is Ru. The most suitable non-noble catalyst is Ni." @default.
- W2055149034 created "2016-06-24" @default.
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- W2055149034 date "1998-11-01" @default.
- W2055149034 modified "2023-09-26" @default.
- W2055149034 title "CO2-reforming of methane on transition metal surfaces" @default.
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- W2055149034 doi "https://doi.org/10.1016/s0039-6028(98)00663-3" @default.
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