Adsorption of metal atoms at a buckled graphene grain boundary using model potentials
Two model potentials have been evaluated with regard to their ability to model adsorption of single metal atoms on a buckled graphene grain boundary. One of the potentials is a Lennard-Jones potential parametrized for gold and carbon, while the other is a bond-order potential parametrized for the in...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2016-01-01
|
| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4940754 |