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Article
Structural, morphological and optical characteristics of fusiform Co-doped CeO2 via a facile hydrothermal method
In this study, the fusiform Co-doped CeO2 particles were prepared by a hydrothermal method and characterized by X-ray diffraction (XRD), thermo-gravimetric differential thermal analysis (TG–DTA), scanning electro...
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Article
Facile synthesis and enhanced photocatalytic performance of dahlia-like TiO2 structures via an EDA-assisted hydrothermal method
Novel dahlia-like TiO2 structures were successfully synthesized by an ethylenediamine (EDA)-assisted hydrothermal method. The EDA served as ligand and facilitated the growth of dahlia-like TiO2 structures. Partic...
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Article
Density functional theory study of water-gas shift reaction on TM@Cu12 core-shell nanoclusters
The mechanism of water-gas shift reaction on the transition metal of Co, Ni, Cu (from the 3d row), Rh, Pd, Ag (from the 4d row), Ir, Pt, and Au (from the 5d row) @Cu12 bimetallic clusters have been studied using ...
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Article
Theoretical investigation of the CO oxidation on Al12Zr Cluster
Equilibrium geometries of Al12Zr cluster were systematically studied on the basis of density functional theory with generalized gradient approximation. To gain insights into high catalytic activity we use the CO ...
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Article
Theoretical study of water gas shift reaction on Cu n Ni (n = 1–12) clusters
Density functional theory has been used to study the water-gas-shift reaction on Cu n Ni (n = 1–12) clusters. The reaction mechanism of carboxyl has been examined. Using the ener...