Nanoscale
Nanoscale
5 years ago

Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk

Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk
Stefan T. Bromley, Oriol Lamiel-Garcia, Francesc Illas, Francesc Vines
We report on an extensive computational modelling survey of (ZnO)N nanostructures ranging from bottom-up generated nanoclusters to top-down nanoparticles cuts from various bulk polymorphs. The obtained results enable us to follow the energetic preferences of structure and polymorphism in (ZnO)N systems with increasing N up to the bulk.

Publisher URL: http://feeds.rsc.org/~r/rss/NR/~3/0gsWFzoEkQs/C7NR02818K

DOI: 2017/NR/C7NR02818K

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