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Adsorption and dissociation behavior of H(2) on PuH(2) (100), (110) and (111) surfaces: a density functional theory+U study

The density functional theory (DFT) and DFT plus correction for on-site Coulomb interaction (DFT+U) method were performed to investigate the adsorption and dissociation of H(2) on PuH(2) (100), (110) and (111) surfaces. Overall, the H(2) molecule can be adsorbed on the PuH(2) surface without spontan...

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Detalles Bibliográficos
Autores principales:	Luo, Wenhua, Wan, Lei, Li, Gan, Gao, Tao
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/PMC9054066/ https://www.ncbi.nlm.nih.gov/pubmed/35515446 http://dx.doi.org/10.1039/d0ra01621g

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