There are numerous publications on adsorption of different bio molecules on the surface of graphene and graphene oxide with gaussian program?
why they did not use periodic system in in the case of clustered form of Graphene oxide?
Are the values of HOMO, LUMO, H-L gap and … real in the case of clustered form of GO?
gaussian is very efficient in quantum chemistry, but getting it work with PBC is not that easy, actually I have never managed to have it work even with very simple molecular crystal.
furthermore, for treatment of systems in question one need large cells so the "defects" do not interact. for adsorption of molecules or precipitate formation it is really only local environment you are interested in.
If you are looking for PBC, there are plenty of other codes.
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