Towards an f-band theory for the actinides: DFT studies of Np- and Am-substituted PuO2 surfaces

Published: 16 July 2025| Version 1 | DOI: 10.17632/9nw226cdr7.1
Contributor:
Jiali Chen

Description

Optimized structures in this work. Output files 'CONTCAR' from VASP calculations are divided into two folders: clean surfaces and adsorbed surfaces

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Institutions

The University of Manchester

Categories

DFT Method Application

Funding

Engineering and Physical Sciences Research Council

EP/T013842/1

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