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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.

Adsorption and dissociation behavior of H2 on PuH2 (100), (110) and (111) surfaces: a density functional theory+U study

Adsorption and dissociation behavior of H₂ on PuH₂ (100), (110) and (111) surfaces: a density functional theory+U study