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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| 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 |