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Author Topic: Modelling GraphAne  (Read 3760 times)

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Offline Rajib

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    • Rajib Chowdhury
Modelling GraphAne
« on: January 12, 2011, 01:31 »
Dear All,

I would like to know about the possibility of modelling of graphAne (fully or partly passivated hydrogen) using custom builder in ATK 2010.8.
 
Advance thanks in any feedback.

Rajib
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Offline zh

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Re: Modelling GraphAne
« Reply #1 on: January 12, 2011, 16:55 »
Once the pure graphene is created using the "Custom builder", one can easily add the passivated hydrogen atoms on the top of selective carbon atoms in a manual manner, and then optimize the atomic coordinates.
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