PBC data for Oxygen Vacancy Formation and Water Adsorption on Reduced AnO2 {111}, {110} and {100} Surfaces (An = U, Pu); A Computational Study

Published: 23-02-2018| Version 1 | DOI: 10.17632/bf733y65yh.1
Contributor:
Nikolas Kaltsoyannis

Description

Periodic boundary condition DFT data for "Oxygen Vacancy Formation and Water Adsorption on Reduced AnO2 {111}, {110} and {100} Surfaces (An = U, Pu); A Computational Study"

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