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Tagged with metal-oxide solid-solid-interface
2 questions
4
votes
1
answer
122
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Work of Separation
I want to calculate the work of separation between layers of a structure as I have attached from the literature. I know how to calculate at the interface but How about a layer below the interface or ...
- 609
4
votes
1
answer
200
views
VASP - suggestion on optimization of interfaced slabs
I am currently trying to create a CeO2 (100) / CoO (200) interface for a bulk oxide.
Unlike what I usually see, slabs stacked on the z-axis ("vertically"), I would like to stack the two &...
- 83