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Structure of an Ultrathin Oxide on Pt(3)Sn(111) Solved by Machine Learning Enhanced Global Optimization

Determination of the atomic structure of solid surfaces typically depends on comparison of measured properties with simulations based on hypothesized structural models. For simple structures, the models may be guessed, but for more complex structures there is a need for reliable theory‐based search...

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Detalles Bibliográficos
Autores principales: Merte, Lindsay R., Bisbo, Malthe Kjær, Sokolović, Igor, Setvín, Martin, Hagman, Benjamin, Shipilin, Mikhail, Schmid, Michael, Diebold, Ulrike, Lundgren, Edvin, Hammer, Bjørk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9320988/
https://www.ncbi.nlm.nih.gov/pubmed/35384213
http://dx.doi.org/10.1002/anie.202204244