Adsorption, Clustering and Reaction of Hydrogen atoms on Graphene - Recent years have witnessed an ever growing interest in carbon-based materials. Among them, those formed by sp^2 C atoms comprise graphite, carbon nanotubes, polycyclic aromatic hydrocarbons (PAHs), and recently graphene: the one-atom thick layer of graphite. In this context, the adsorption of atoms from the gas phase on graphene can be used to tailor their electronic and magnetic properties, as already suggested for defects, with the advantage of being much easier to realize than, e.g., vacancies. We show how hydrogen atoms chemisorption induces a magnetic moment on the substrate and influences both thermodinamically and kinetically further atoms adsorptions, up to clusters formation. From the dynamical point of view many calculations have been done on the hydrogen recombination reaction on graphene and graphitic surfaces, in particular for the H2 formation via the Eley-Rideal mechanism, that involves chemisorbed species. Our study show the presence of large quantum effect in this process such as quantum reflection and product quantization signatures.

Adsorption, clustering and reaction of hydrogen atoms on graphene / S. Casolo ; tutor: G.F. Tantardini, R. Martinazzo ; coordinatore: F. Cozzi. - : . DIPARTIMENTO DI CHIMICA FISICA ED ELETTROCHIMICA, 2009 Dec 16. ((22. ciclo, Anno Accademico 2008/2009. [10.13130/casolo-simone_phd2009-12-16].

Adsorption, clustering and reaction of hydrogen atoms on graphene

S. Casolo
2009-12-16

Abstract

Adsorption, Clustering and Reaction of Hydrogen atoms on Graphene - Recent years have witnessed an ever growing interest in carbon-based materials. Among them, those formed by sp^2 C atoms comprise graphite, carbon nanotubes, polycyclic aromatic hydrocarbons (PAHs), and recently graphene: the one-atom thick layer of graphite. In this context, the adsorption of atoms from the gas phase on graphene can be used to tailor their electronic and magnetic properties, as already suggested for defects, with the advantage of being much easier to realize than, e.g., vacancies. We show how hydrogen atoms chemisorption induces a magnetic moment on the substrate and influences both thermodinamically and kinetically further atoms adsorptions, up to clusters formation. From the dynamical point of view many calculations have been done on the hydrogen recombination reaction on graphene and graphitic surfaces, in particular for the H2 formation via the Eley-Rideal mechanism, that involves chemisorbed species. Our study show the presence of large quantum effect in this process such as quantum reflection and product quantization signatures.
TANTARDINI, GIAN FRANCO
MARTINAZZO, ROCCO
COZZI, FRANCO
Settore CHIM/02 - Chimica Fisica
Adsorption, clustering and reaction of hydrogen atoms on graphene / S. Casolo ; tutor: G.F. Tantardini, R. Martinazzo ; coordinatore: F. Cozzi. - : . DIPARTIMENTO DI CHIMICA FISICA ED ELETTROCHIMICA, 2009 Dec 16. ((22. ciclo, Anno Accademico 2008/2009. [10.13130/casolo-simone_phd2009-12-16].
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/154443
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