Investigation into the Adsorption Mechanism of Three Varieties of Carboxylated Graphene Oxide for Pentahydrate Actinide (An = Pa-Pu) Compounds.

ABSTRACT: The high radioactivity and toxicity of nuclear wastewater, significant contributors to environmental pollution, have drawn considerable attention from the scientific community. This research delves into the adsorption mechanism of actinide cations, namely, Pa-(V), U-(VI), Np-(V), and Pu-(VI), on carboxylated graphene oxide (GO). Specifically, we examined three distinct carboxylated functional groups situated on the graphene edges: -COOH, -O-COOH, and -NH-COOH. Utilizing density functional theory (DFT), we conducted a systematic investigation into the structures, bonding characteristics, and adsorption energies of Pa-(V), U-(VI), Np-(V), and Pu-(VI) when interacting with GO. Rigorous geometric analysis and resonant frequency calculations demonstrate that Pu-(VI) exhibits stronger bonding wi

SUBMITTER: Chen Y 

PROVIDER: S-EPMC12489631 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature