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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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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2019
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| 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 |