The adsorption of carbon and nitrogen oxides on the PuO2 {110} surface: a DFT + U study

Published: 22 January 2024| Version 1 | DOI: 10.17632/zgr3htjy64.1
Contributor:
Jiali Chen

Description

Input files for VASP simulations (INCAR) and output structures (CONTCAR)

Files

Institutions

  • The University of Manchester The University of Manchester I3 Limited

Categories

Chemistry, Radioactive Waste, DFT Method Application

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