Molecular reactions and oxidation corrosion on UN (001) surface under exposure to environment gases: A DFT study

Jinfan Chen, Zhong Long, Ruizhi Qiu, Yin Hu, Bingyun Ao, Kezhao Liu

2020Journal of Nuclear Materials18 citationsDOI

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AdsorptionChemistryAb initioDensity functional theoryUraniumCorrosionOxygenPhysical chemistryMoleculeAb initio quantum chemistry methodsChemical physicsComputational chemistryInorganic chemistryMaterials scienceOrganic chemistryMetallurgyNuclear Materials and PropertiesCatalytic Processes in Materials ScienceMachine Learning in Materials Science