Density functional theory study of palladium cluster adsorption on a graphene support

The geometric, thermodynamic and electronic properties of Pd–graphene nanocomposites are comprehensively studied through quantum mechanical methods. Geometries of these clusters are optimized with the well-calibrated Minnesota functional M06-2X. The adsorption energies calculated at the M06-2X/LANL2...

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Detalles Bibliográficos
Autores principales: Hussain, Riaz, Saeed, Muhammad, Mehboob, Muhammad Yasir, Khan, Saif Ullah, Usman Khan, Muhammad, Adnan, Muhammad, Ahmed, Mahmood, Iqbal, Javed, Ayub, Khurshid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054311/
https://www.ncbi.nlm.nih.gov/pubmed/35517764
http://dx.doi.org/10.1039/d0ra01059f

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054311/
https://www.ncbi.nlm.nih.gov/pubmed/35517764
http://dx.doi.org/10.1039/d0ra01059f

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