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Author Topic: Passivation in non-perfect 2D nanosheet  (Read 2678 times)

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Offline Subhban15

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Passivation in non-perfect 2D nanosheet
« on: July 6, 2015, 10:29 »
Could you please tell me how to passivate (Hydrogen) 2D nanosheet and nanoribbon (after the formation of a defect) which is not perfectly 2D?
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Offline Anders Blom

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Re: Passivation in non-perfect 2D nanosheet
« Reply #1 on: July 6, 2015, 22:45 »
In VNL 2014 there is a new tool for this called Custom Passivator, under "Coordinate Tools" in the Builder. Use SP2 hybridization for the carbon and it should work fine also for rough edges and non-flat geometries.
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