[ase-users] Modelling Ceria in ASE

[Matthew Helmi Leth Larsen]

Dear all,

I am interested in generating HR-TEM images of Ceria (CeO2) supported Au nanoparticles, using ASE for modelling and abTEM for the image generation.

Does anyone have a reference or some code that could help get me started with setting up Ceria slabs (or similar) properly?

Currently I am constructing Au clusters using ASE's FaceCentredCubic(), with a random number of certain layers and truncations, random rotations, and random translations in the x and y plane, which I then generate HR-TEM images with.

I want to do the same but with a Ceria support present.

Thank you in advance!

Best regards,
Matthew Helmi Leth Larsen
PhD student

[cid:867AF8F8-E868-44A6-B62B-8AAFBCDAD623]

mhlla at dtu.dk<mailto:mhlla at dtu.dk>
Fysikvej
Building 309
2800 Kgs. Lyngby
www.dtu.dk/english<http://www.dtu.dk/english>




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