[Pw_forum] Regarding adsorption of metal atoms in graphene
konda.physics at gmail.com
Thu Jan 7 09:42:00 CET 2016
Dear M. Pashangpour
Thank you very much for the reply.
I did the steps up to the level to super cell of my graphene. Now I am
worrying about the step for "Finally you add metal atom to the
Here my confusion is only one thing
1. Shall I replace one carbon atom with my metal atom and need to relax??
2. I directly add metal atom??? If I add a metal atom to my graphene
sheet directly, how can I choose the position of the metal atom.
Thanks in advance
with best regards
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