Quantum modelling of hydrogen chemisorption on graphene and graphite

Halogenated Graphenes: Rapidly Growing Family of Graphene Derivatives

(2013) František Karlický et al.   ACS Nano

H2 Formation on Interstellar Grains

(2013) Gianfranco Vidali   CHEMICAL REVIEWS

Quantum Trajectory-Electronic Structure Approach for Exploring Nuclear Effects in the Dynamics of Nanomaterials

(2013) Sophya Garashchuk et al.   Journal of Chemical Theory and Computation

Atomic Covalent Functionalization of Graphene

(2012) James E. Johns et al.   ACCOUNTS OF CHEMICAL RESEARCH

Kinetic Isotope Effect in the Hydrogenation and Deuteration of Graphene

(2012) Alessio Paris et al.   ADVANCED FUNCTIONAL MATERIALS

Coupled Cluster and Density Functional Theory Calculations of Atomic Hydrogen Chemisorption on Pyrene and Coronene as Model Systems for Graphene Hydrogenation

(2012) Ying Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Evidence for a New Two-Dimensional C4H-Type Polymer Based on Hydrogenated Graphene

(2011) Danny Haberer et al.   ADVANCED MATERIALS

Sticking and desorption of hydrogen on graphite: A comparative study of different models

(2011) Bruno Lepetit et al.   JOURNAL OF CHEMICAL PHYSICS

On the PES for the interaction of an H atom with an H chemisorbate on a graphenic platelet

(2011) N. Rougeau et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sticking of Hydrogen on Supported and Suspended Graphene at Low Temperature

(2011) Bruno Lepetit et al.   PHYSICAL REVIEW LETTERS

Carbon nanotube electromechanical resonator for ultrasensitive mass/force sensing

(2010) Benjamin Lassagne et al.   COMPTES RENDUS PHYSIQUE

Hydrogen adsorption on graphene: a first principles study

(2010) V. V. Ivanovskaya et al.   EUROPEAN PHYSICAL JOURNAL B

Study of the sticking of a hydrogen atom on a graphite surface using a mixed classical-quantum dynamics method

(2010) S. Morisset et al.   JOURNAL OF CHEMICAL PHYSICS

Two-Dimensional Phonon Transport in Supported Graphene

(2010) J. H. Seol et al.   SCIENCE

MOLECULAR HYDROGEN FORMATION CATALYZED BY POLYCYCLIC AROMATIC HYDROCARBONS IN THE INTERSTELLAR MEDIUM

(2009) Valéry Le Page et al.   ASTROPHYSICAL JOURNAL

Isotopic effects in the sticking of H and D atoms on the (0 0 0 1) graphite surface

(2009) S. Morisset et al.   CHEMICAL PHYSICS LETTERS

Understanding adsorption of hydrogen atoms on graphene

(2009) Simone Casolo et al.   JOURNAL OF CHEMICAL PHYSICS

DFT Study of the Hydrogen Spillover Mechanism on Pt-Doped Graphite

(2009) George M. Psofogiannakis et al.   Journal of Physical Chemistry C

Unrestricted study of the Eley–Rideal formation of H2 on graphene using a new multidimensional graphene–H–H potential: role of the substrate

(2009) D. Bachellerie et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane

(2009) D. C. Elias et al.   SCIENCE

Catalyzed Routes to Molecular Hydrogen Formation and Hydrogen Addition Reactions on Neutral Polycyclic Aromatic Hydrocarbons under Interstellar Conditions

(2008) E. Rauls et al.   ASTROPHYSICAL JOURNAL

Quantum dynamic of sticking of a H atom on a graphite surface

(2008) S. Morisset et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum studies of light particle trapping, sticking, and desorption on metal and graphite surfaces

(2008) Zuleika Medina et al.   JOURNAL OF CHEMICAL PHYSICS

The sticking of H and D atoms on a graphite (0001) surface: The effects of coverage and energy dissipation

(2008) Jay Kerwin et al.   JOURNAL OF CHEMICAL PHYSICS

Reversible Basal Plane Hydrogenation of Graphene

(2008) Sunmin Ryu et al.   NANO LETTERS