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Elucidation of Cu–Zn Surface Alloying on Cu(997) by Machine-Learning Molecular Dynamics

[Image: see text] The Cu–Zn surface alloy has been extensively involved in the investigation of the true active site of Cu/ZnO/Al(2)O(3), the industrial catalyst for methanol synthesis which remains under controversy. The challenge lies in capturing the interplay between the surface and reaction und...

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Detalles Bibliográficos
Autores principales: Halim, Harry H., Morikawa, Yoshitada
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9955186/
https://www.ncbi.nlm.nih.gov/pubmed/36855689
http://dx.doi.org/10.1021/acsphyschemau.2c00017