[ase-users] CNT/Cu interface

Glen Jenness glenjenness at gmail.com
Wed Feb 27 02:03:12 CET 2013


That all depends on what you want to do really.

Is your interface a simple CNT laying on it's side on the Cu?  Is it
between two Cu plates?  Is it just capping one end of the CNT?  Is it a
single Cu on a CNT?  Is it a Cu nanoparticle/cluster on a CNT?

All of these are pretty trivial to setup using the add_adsorbate function,
but without knowing what you're attempting, and with no real script that
you tried and just couldn't get to work (for whatever reason), there's not
much we can do to help.

On Tue, Feb 26, 2013 at 12:05 PM, Ibrahim (Ibrahim Awad) Awad <
ieawad at crimson.ua.edu> wrote:

> I know how to model CNT with nanotube module, but i want to make an
> interface of this CNT with Copper. Any help please as I'm a biginner?
> Thank you
>
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-- 
Dr. Glen Jenness
Schmidt Group/Morgan Group
Department of Chemistry/Materials Science and Engineering (MSAE)
University of Wisconsin - Madison
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