Author Topic: Adsorption  (Read 3469 times)

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Offline abhishek77492652

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Adsorption
« on: July 29, 2017, 22:52 »
How we can adsorbed a particular molecules in another?

Offline Jess Wellendorff

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Re: Adsorption
« Reply #1 on: July 31, 2017, 10:50 »
I am not sure what you mean, but here's an example of adsorbing a benzene molecule om the Au(111) surface: http://docs.quantumwise.com/tutorials/benzene_au111/benzene_au111.html

Offline abhishek77492652

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Re: Adsorption
« Reply #2 on: July 31, 2017, 13:39 »
How we can adsorb the phosphorous molecule over graphene sheet  ?

Offline Jess Wellendorff

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Re: Adsorption
« Reply #3 on: July 31, 2017, 13:53 »
Very similar to the tutorial:
1) build graphene
2) build phosphorous molecule (or find it in the Molecular Builder if it is there)
3) combine the two in the desired geometry.