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The functionalization and electric properties of graphene by the addition of transition metal atom of Ni to its surface had been investigated computationally using density functional theory with the generalized gradient approximation. The stable geometry adsorption position, binding energy, band gap, density of states, charge transfer of Ni adsorbed on graphene at two different coverages were calculated...
The adsorption modes of C on the clean Ni (111) surface had been investigated by first principles Density Functional Theory (DFT) within a periodic slab model and the generalized gradient approximation. The threefold hep and fee hollow sites on Ni (111) surface were preferred to be adsorbed strongly by the C atom with chemisorptions energy of-6.89 eV and -6.81 eV. The calculated binding energies had...
In this paper, the effects of nickel ions concentration (4.0 wt%, 4.5 wt%, 5.0 wt%), carbonization temperature (700??C, 800??C, 900??C), heating rate (5??C/min, 15??C/min, 20??C/min) and particle size (0.1-0.2 mm, 0.2-0.3 mm, 0.3-0.38 mm) on resistivity of char derived from winter wheat straw were studied. The result showed that when nickel loading is 5.0 wt%, carbonization temperature is 900??C,...
Ni/γ-Al2O3-550 and Ni/γ-Al2O3-800 catalysts (calcined at 550°C and 800°C in the catalyst preparation) were prepared with a impregnation method. Steam reforming of acetic acid as a model compound of bio-oil for hydrogen production had been investigated on the catalysts. The fresh catalysts were characterized by X-ray diffraction (XRD), temperature programmed reduction (TPR-H2) and specific surface...
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