Classical molecular dynamics simulation on the dynamical properties of H2 on silicene layer
This study investigates the diffusion of hydrogen molecule physisorbed on the surface of silicene nanoribbon (SiNR)using the classical molecular dynamic (MD) simulation in LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). The interactions between silicon atoms are modeled using the...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2016-01-01
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| Series: | MATEC Web of Conferences |
| Online Access: | http://dx.doi.org/10.1051/matecconf/20164002022 |