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Author Topic: Surface electron affinity  (Read 3047 times)

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Offline aschenk

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Surface electron affinity
« on: December 7, 2011, 23:43 »
Hi,

I want to calculate the electron affinity of a surface. I know that there is a tutorial which shows how to do this for a single molecule, but is the process the same for a surface?

Thanks
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Offline zh

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Re: Surface electron affinity
« Reply #1 on: December 8, 2011, 14:02 »
From the definition of electron affinity, I think than you employ the same procedure in the molecule case to estimate the electron affinity of a surface, i.e.,
the difference between the total energies of surface with N+1 electrons and  N electrons.
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