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Ditemukan 1 dari pencarian Anda melalui kata kunci: author=Jose A. Rodriguez
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Catalyst size matters: Tuning the molecular mechanism of the water–gas shif…
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Francesc ViñesJose A. RodriguezPing LiuFrancesc Illas

Abstract. The molecular mechanism of the water–gas shift reaction catalyzed by titanium carbide compounds was studied using a density functional approach. Three different catalyst models have been considered: the extended TiC(001) surface, the Ti8C12 MetCar, and a Ti14C13 nanoparticle. Adsorption of reactants, intermediates, and products occurs on different sites, demonstrating the chemic…

Edisi
-
ISBN/ISSN
00219517
Deskripsi Fisik
Journal of Catalysis 260 (2008) 103–112
Judul Seri
Journal of Catalysis
No. Panggil
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