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 ChenDescription
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