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Hydrogen Dissociation Catalyzed by Carbon‐Coated Nickel Nanoparticles: Experiment and Theory
Author(s) -
Yermakov Anatoliy Ye.,
Boukhvalov Danil W.,
Uimin Michael A.,
Lokteva Ekaterina S.,
Erokhin Alexey V.,
Schegoleva Ni.
Publication year - 2013
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201200831
Subject(s) - catalysis , nanoparticle , nickel , materials science , graphene , dissociation (chemistry) , graphite , hydrogen , chemical engineering , magnesium , inert , nanocomposite , carbon fibers , inorganic chemistry , carbon nanotube , nanotechnology , chemistry , organic chemistry , metallurgy , composite material , composite number , engineering
Based on the combination of experimental measurements and first‐principles calculations we report a novel carbon‐based catalytic material and describe significant acceleration of the hydrogenation of magnesium at room temperature in the presence of nickel nanoparticles wrapped in multilayer graphene. The increase in rate of magnesium hydrogenation in contrast to a mix of graphite and nickel nanoparticles evidences intrinsic catalytic properties of the nanocomposites explored. The results from simulation demonstrate that doping of the metal substrate and the presence of Stone–Wales defects turn multilayer graphene from being chemically inert to chemically active. The role of the size of the nanoparticles and temperature are also discussed.