[ase-users] CNT/Cu interface

[Glen Jenness]

Like I said, you should able to use the "add_adsorbate" function to do this
with (
https://wiki.fysik.dtu.dk/ase/ase/surface.html?highlight=add_adsorbate#ase.lattice.surface.add_adsorbate).
 Note, you'll need to take some care with the different lattice parameters
between the CNT and the Cu surface.

If you have a script that you've tried and didn't get to work, then we can
give a hand.

On Thu, Feb 28, 2013 at 10:27 AM, Ibrahim (Ibrahim Awad) Awad <
ieawad at crimson.ua.edu> wrote:

> I can create a CNT and a Cu slab. Now, I want to put the Cu slab on the
> outer surface of the CNT. Can you help???
> Thanks
>
>
> On Wed, Feb 27, 2013 at 9:42 AM, Ibrahim (Ibrahim Awad) Awad <
> ieawad at crimson.ua.edu> wrote:
>
>> It is a Cu plate tangent to the outer surface of the CNT.
>>
>>
>> On Tue, Feb 26, 2013 at 7:03 PM, Glen Jenness <glenjenness at gmail.com>wrote:
>>
>>> 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
>>>>
>>>> _______________________________________________
>>>> ase-users mailing list
>>>> ase-users at listserv.fysik.dtu.dk
>>>> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>>>>
>>>
>>>
>>>
>>> --
>>> Dr. Glen Jenness
>>> Schmidt Group/Morgan Group
>>> Department of Chemistry/Materials Science and Engineering (MSAE)
>>> University of Wisconsin - Madison
>>>
>>
>>
>


-- 
Dr. Glen Jenness
Schmidt Group/Morgan Group
Department of Chemistry/Materials Science and Engineering (MSAE)
University of Wisconsin - Madison
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