Browsing by Subject "Gas"
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Adensity functional theory study of water ga shift reaction on ZnO (1010) surface
(International University HCMC, Vietnam, 2012)The carboxyl mechanism of the water gas shift reaction on the ZnO (1010) surface was initially investigated using the density functional theory (DFT) with the generalized gradient approximation–Perdew-Wang ... -
Density functional theory study of water gas shift reaction on 6Cu/ZnO(1010) surface
(International University HCMC, Vietnam, 2012)In this study we study the deposition of 6-Cu cluster on the clean surface ZnO(10ī0) (denoted as 6Cu ZnO(10ī0)) using density functional theory in an attempt to design a better catalyst for water gas shift reaction (WGSR). ...