TY - JOUR
T1 - Ni/C nanostructures
T2 - Impregnating-method preparation, textural and structural features, and catalytic property for the hydrogen production
AU - Galindo-Hernández, Félix
AU - Wang, Jin An
AU - Chen, Lifang
AU - Bokhimi, Xim
AU - Pérez-Larios, Alejandro
AU - Gómez, Ricardo
PY - 2013/12/14
Y1 - 2013/12/14
N2 - A series of Ni/C catalysts with different Ni content (15, 20, and 30 wt% Ni) were prepared by the wet incipient impregnation method. Their textural properties were studied by surface fractal dimension (D s) and nonlocal density functional theory using nitrogen sorption data. Their structural properties were studied by x-ray diffraction, Rietveld refinement, radial distribution functions (RDFs), and electron density maps of Fourier. Surface areas of Ni/C catalysts decreases slightly from 614 to 533 m2/g as Ni content increases from 15 to 30 wt%; however, the Ni crystallite size (5.1-31.4 nm) increases as the nickel content increases. Many point defects were found by Rietveld refinement in nickel nanostructures of Ni/C catalysts with 20 and 30 wt% Ni. This was confirmed by RDFs and electronic density maps. On the other hand, the hydrogen production via the photodehydrogenation of ethanol is very sensitive to the nickel crystallite size and the number Ni atoms in nickel nanostructures. The maximum reaction rate (363.64 μmol/h) is achieved on Ni/C catalyst with 15 Wt% Ni content which has the smallest crystallite size (5.1 nm) and less point defects in its nickel nanostructures. Ab initio calculations were performed to propose a reaction mechanism in the photodehydrogenation of ethanol.
AB - A series of Ni/C catalysts with different Ni content (15, 20, and 30 wt% Ni) were prepared by the wet incipient impregnation method. Their textural properties were studied by surface fractal dimension (D s) and nonlocal density functional theory using nitrogen sorption data. Their structural properties were studied by x-ray diffraction, Rietveld refinement, radial distribution functions (RDFs), and electron density maps of Fourier. Surface areas of Ni/C catalysts decreases slightly from 614 to 533 m2/g as Ni content increases from 15 to 30 wt%; however, the Ni crystallite size (5.1-31.4 nm) increases as the nickel content increases. Many point defects were found by Rietveld refinement in nickel nanostructures of Ni/C catalysts with 20 and 30 wt% Ni. This was confirmed by RDFs and electronic density maps. On the other hand, the hydrogen production via the photodehydrogenation of ethanol is very sensitive to the nickel crystallite size and the number Ni atoms in nickel nanostructures. The maximum reaction rate (363.64 μmol/h) is achieved on Ni/C catalyst with 15 Wt% Ni content which has the smallest crystallite size (5.1 nm) and less point defects in its nickel nanostructures. Ab initio calculations were performed to propose a reaction mechanism in the photodehydrogenation of ethanol.
KW - DFT
KW - Electron density maps
KW - Ethanol photodehydrogenation
KW - Hydrogen production
KW - Ni/C catalysts
KW - Nickel nanostructures
KW - Nickel point defects
KW - Rietveld refinement
UR - http://www.scopus.com/inward/record.url?scp=84890065357&partnerID=8YFLogxK
U2 - 10.1557/jmr.2013.337
DO - 10.1557/jmr.2013.337
M3 - Artículo
AN - SCOPUS:84890065357
SN - 0884-2914
VL - 28
SP - 3297
EP - 3309
JO - Journal of Materials Research
JF - Journal of Materials Research
IS - 23
ER -