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Free Graphene Oxide Structure Set (400 configura ... (No replies)
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Looking for sets of pre-made nanostructures to use in your next simulation study?
Looking for structures you can use to test methods and codes?
Looking for ensembles to use for data-driven nanomaterials discovery?
A new “Structure Set” has recently been added to the Nanostructure Data Bank on the CSIRO Data Access Portal, containing 400 graphene oxide nanoflakes. The size ranges from 294 carbon atoms to 1200 carbon atoms, all with a hexagonal shape and hydrogen edge terminations. Four zig zag and four armchiar geometries are represented, each with 50 random coverages of OH and O (in the ether configuration). The number of oxygen atoms is set to 25% of the number of carbon atoms, but other lower concentrations could be generated by randomly deleting the O or OH adsorbates.
The Graphene Oxide nanoflake structure set can be downloaded here, complete with a DOI.
Also available are sets of hundreds of silicon quantum dots, silver nanoparticles, graphene nanoflakes, boron nitride nanotubes, and more. Download one or download many, and come back as often as you need.
Access the list of Structures Sets can be found here.