Similarities and differences for atomic and diatomic molecule adsorption on the B-5 type sites of the HCP(101̅6) surfaces of Co, Os, and Ru from DFT calculations

The differences in relative adsorption energies for mono-atomic and diatomic prototype species (C,N,O,S,H,CO,NO,SO,CH,NH,H(2),O(2)) relevant to catalytic processes such as Fischer-Tropsch and Ammonia Synthesis chemistry are investigated on the previously un-studied [Formula: see text] surface(s) of...

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Detalles Bibliográficos
Autor principal: Rankin, Rees B
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6726723/
https://www.ncbi.nlm.nih.gov/pubmed/31508514
http://dx.doi.org/10.1016/j.heliyon.2019.e01924

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6726723/
https://www.ncbi.nlm.nih.gov/pubmed/31508514
http://dx.doi.org/10.1016/j.heliyon.2019.e01924

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