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Molecular dynamics and density functional theory simulations of cesium and strontium adsorption on illite/ smectite

Kun Zhang, Hailong Li, Zhanguo Li, Qi Sheng, Shengyang Cui, Wenzhuo Chen, Shanqiang Wang

2022Journal of Radioanalytical and Nuclear Chemistry10 citationsDOI

Topics & Concepts

IlliteAdsorptionChemistryDensity functional theoryCaesiumClay mineralsStrontiumMolecular dynamicsIonInorganic chemistryCrystallographyPhysical chemistryMineralogyComputational chemistryOrganic chemistryNuclear materials and radiation effectsChemical Synthesis and CharacterizationBauxite Residue and Utilization
Molecular dynamics and density functional theory simulations of cesium and strontium adsorption on illite/ smectite | Litcius