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Dissociative Chemisorption of O(2) on Al(111): Dynamics on a Correlated Wave-Function-Based Potential Energy Surface

[Image: see text] Dissociative chemisorption of O(2) on the Al(111) surface represents an extensively studied prototype for understanding the interaction between O(2) and metal surfaces. It is well known that the experimentally observed activation barrier for O(2) dissociation is not captured by con...

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Detalles Bibliográficos
Autores principales: Yin, Rongrong, Zhang, Yaolong, Libisch, Florian, Carter, Emily A., Guo, Hua, Jiang, Bin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6025882/
https://www.ncbi.nlm.nih.gov/pubmed/29843512
http://dx.doi.org/10.1021/acs.jpclett.8b01470