Theoretical Study of an almost Barrier-Free Water Dissociation on a Platinum (111) Surface Alloyed with Ruthenium and Molybdenum

[Image: see text] A theoretical study based on density functional theory for H(2)O dissociation on the metal surface of Pt(111) alloyed simultaneously with Ru and Mo was performed. The determination of the minimum energy path using the climbing image nudged elastic band (CI-NEB) method shows that th...

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Detalles Bibliográficos
Autores principales: Cahyanto, Wahyu Tri, Zulaehah, Siti, Widanarto, Wahyu, Abdullatif, Farzand, Effendi, Mukhtar, Kasai, Hideaki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153754/
https://www.ncbi.nlm.nih.gov/pubmed/34056231
http://dx.doi.org/10.1021/acsomega.1c00389

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8153754/
https://www.ncbi.nlm.nih.gov/pubmed/34056231
http://dx.doi.org/10.1021/acsomega.1c00389

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