TY - JOUR
T1 - Molecular Dynamics Simulation of Bombardment of Hydrogen Atoms on Graphite Surface
AU - A. Ito & H. Nakamura
JO - Communications in Computational Physics
VL - 3
SP - 592
EP - 610
PY - 2008
DA - 2008/09
SN - 4
DO - http://doi.org/
UR - https://global-sci.org/intro/article_detail/cicp/7806.html
KW - 
AB - <p style="text-align: justify;">The new potential model of interlayer intermolecular interaction was proposed to represent “ABAB” stacking of graphite. The bombardment of hydrogen
atoms on the graphite surface was investigated using molecular dynamics simulation.
Before the first graphene from the surface side was broken, the hydrogen atoms caused
the following processes. In the case of the incident energy of 5 eV, many hydrogen
atoms were adsorbed on the front of the first graphite. In the case of the incident energy of 15 eV, almost all hydrogen atoms were reflected by the first graphene. In the
case of the incident energy of 30 eV, the hydrogen atoms were adsorbed between the
first and second graphenes. The radial distribution function and the animation of the
MD simulation demonstrated that the graphenes were peeled off one by one, which is
called graphite peeling. One C<sub>2</sub>H<sub>2</sub> was generated in such chemical sputtering. But the
other yielded molecules often had chain structures terminated by the hydrogen atoms.
The erosion yield increased linearly with time.</p>