A comparative study on the stability of the furfural molecule on the low index Ni, Pd and Pt surfaces

We present a comparative density functional theory investigation of the furfural (Ff) molecule on the low index Ni, Pd and Pt surfaces to understand its geometrical and electronic properties to gain mechanistic insights into the experimentally measured catalytic reactivities of these metal catalysts...

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Detalles Bibliográficos
Autores principales: Khan, Alveena Z., Alitt, Jacob, Germaney, Rhiannon, Hamada, Ikutaro, Wells, Peter P., Dimitratos, Nikolaos, Catlow, C. Richard A., Villa, Alberto, Chutia, Arunabhiram
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8941400/
https://www.ncbi.nlm.nih.gov/pubmed/35345429
http://dx.doi.org/10.1098/rsos.211516

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8941400/
https://www.ncbi.nlm.nih.gov/pubmed/35345429
http://dx.doi.org/10.1098/rsos.211516

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