Abstract

Pure siliceous and aluminosilicate mesoporous molecular sieves of MCM-41 type have been used as support for nickel incorporation (2.5 wt%) by wet impregnation method. The hydrogen adsorption capacities at 77 K of these materials have been studied. Various techniques such as X-ray diffraction, N2 adsorption–desorption, X-ray photoelectron spectroscopy, Temperature-Programmed Reduction, UV–Vis diffuse reflectance spectroscopy and adsorption of pyridine coupled to infrared spectroscopy were employed to characterize the materials. In addition, Density Functional Theory calculations were used in order to interpret the results of hydrogen adsorption. The results obtained show that isolated metallic species are capable to promote hydrogen favorable sites. Isolated mononuclear Ni2+ species on the surface strengthen the interaction with the H2, enhancing the hydrogen adsorption capacity.

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