The extraction of uranium is crucial for sustaining a consistent nuclear fuel cycle, yet the task of isolating uranyl ions from aqueous solutions presents formidable challenges. Herein, a PAA/GO aerogel was developed using polyacrylic acid-functionalized graphene, wherein the C = O = C = O segment's dual oxygen served both as electrodes for capacitive deionization and as sites for charge transfer and uranyl capture, effectively purifying uranium mine wastewater. Furthermore, under the stringent experimental conditions set at 298 K and a pH of 5.5, the PAA/GO composite demonstrated an impressive adsorption capacity of 898.7 mg g−1. When this composite was further amalgamated into the CDI architecture, it exhibited an impressive 92 % uranium extraction from genuine mine effluent at an unwavering potential of 0.9 V. Through density functional theory (DFT) analyses, the adsorption energies of [UO2(H2O)5]2+ with the PAA/GO composite involving C = O = C = O ligands displayed the highest value compared with PAA and PAA/GO composite (involving monodentate and bidentate ligands). The Bader charge analysis further indicating the greatest charge loss in the uranium ion. In conclusion, the novel PAA/GO aerogel 3D framework with its specific C = O = C = O regional chain sets a pioneering standard in uranium extraction techniques, showcasing unprecedented efficiency in UO22+ removal from aqueous solutions.

中文翻译：

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聚丙烯酸官能化石墨烯气凝胶 C = O = C = O 段中双氧官能团介导的铀电容去离子


铀的提取对于维持稳定的核燃料循环至关重要，但从水溶液中分离铀酰离子的任务提出了艰巨的挑战。在此，使用聚丙烯酸功能化石墨烯开发了PAA/GO气凝胶，其中C=O=C=O链段的双氧既作为电容去离子的电极，又作为电荷转移和铀酰捕获的位点，有效净化铀矿废水。此外，在 298 K 和 pH 5.5 的严格实验条件下，PAA/GO 复合材料表现出 898.7 mg g−1 的令人印象深刻的吸附能力。当这种复合材料进一步合并到 CDI 架构中时，它在 0.9 V 的稳定电位下从真正的矿山废水中提取了 92% 的铀。通过密度泛函理论 (DFT) 分析，[UO2(H2O)5 的吸附能]2+ 与 PAA 和 PAA/GO 复合材料（涉及单齿和双齿配体）相比，涉及 C = O = C = O 配体的 PAA/GO 复合材料显示出最高值。 Bader 电荷分析进一步表明铀离子中的电荷损失最大。总之，新型 PAA/GO 气凝胶 3D 框架及其特定的 C = O = C = O 区域链为铀提取技术树立了开创性标准，展示了从水溶液中去除 UO22+ 的前所未有的效率。