Quantum-chemical study of interaction of hydrogen atoms with graphene |
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| Authors: | P A Butrimov O Yu Anan’ina and A S Yanovskii |
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| Institution: | 1.Zaporozh’e National University,Zaporozh’e,Ukraine |
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| Abstract: | The dependence of the binding energy and the activation energy of adsorption of hydrogen atoms on the number of previously
adsorbed particles and their position—on one or both sides of a cluster, on nearest or distant neighbors (carbon atoms)—is
investigated by quantum-chemical modeling. A hypothesis of the formation of adsorption sites (islands) on graphene at the
initial stage of its saturation by hydrogen is discussed. |
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