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Frustrations of supported catalytic clusters under operando conditions predicted by a simple lattice model

The energy landscape with a number of close minima separated by low barriers is a well-known issue in computational heterogeneous catalysis. In the framework of the emerging out-of-equilibrium material science, the navigation through such involved landscapes is associated with the functionality of m...

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Detalles Bibliográficos
Autor principal: Korobov, Alexander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9553940/
https://www.ncbi.nlm.nih.gov/pubmed/36220887
http://dx.doi.org/10.1038/s41598-022-21534-4