Molecular Dynamics Simulation of Collisions between Hydrogen and Graphite

Details Molecular Dynamics Simulation of Collisions between Hydrogen and Graphite Molecular Dynamics Simulation of Collisions between Hydrogen and Graphite

2006-04-24

arxiv.org/abs/cond-mat/0604543v2

Physics

Condensed Matter

Soft Condensed Matter

4 pages, 4 figures. Accepted for publication by j. Plasma Phys. Proccedings for the joint conference of 19th International Con

Scientific paper

10.1017/S0022377806005289

Hydrogen adsorption by graphite is examined by classical molecular dynamics simulation using a modified Brenner REBO potential. Such interactions are typical in chemical sputtering experiments, and knowledge of the fundamental behavior of hydrogen and graphene in collisional conditions is essential for modeling the sputtering mechanism. The hydrogen adsorption rate is found to be dependent on the incident hydrogen energy and not on graphene temperature. Rather than destroying the graphene, hydrogen incidence at energies of less than 100 eV can be classified into three regimes of adsorption, reflection and penetration through one or more graphene layers. Incidence at the lowest energies is shown to distort the graphene structure.

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