Three-dimensional graphene/titanium dioxide composite for enhanced U(VI) capture: Insights from batch experiments, XPS spectroscopy and DFT calculation.

Efficient containment and capture of uranium (U(VI)) from aqueous solution is an essential component to ensure socially and environmentally sustainable development. Herein, the three-dimensional graphene/titanium dioxide composite (3D GA/TiO 2) was synthesized and applied as an effective adsorbent to remove U(VI) from wastewater as a function of contact time, temperature, pH and ion strength. The 3D GA/TiO 2 material was characterized by X-ray diffraction, Raman spectroscopy, Fourier-transform infrared spectroscopy, and X-ray photoelectron spectroscopy. The batch experiments results indicated that the adsorption of U(VI) on materials were fitted with the pseudo-second order kinetics and Langmuir models. More specifically, 3D GA/TiO 2 (441.3 mg/g) was observed to outperform the GO (280.0 mg/g), rGO (140.9 mg/g) and TiO 2 (98.5 mg/g) at pH 5.0, which was attributable to the excellent cooperative effects. Furthermore, XPS analyses and DFT calculations confirmed the formation of surface complexes between oxygen-containing group and U(VI) with the U–O bonds length of 2.348 Å (U–O1) and 2.638 Å (U–O2). Meanwhile, the adsorption energy was calculated to be 1.60 eV, which showed a very strong chemisorption during the interaction process. It is believed that the 3D GA/TiO 2 revealed good removal performance for uranyl ions, which showed a great potential application to control the nuclear industrial pollution. Image 1 • 3D GA/TiO 2 composite was prepared via a facile and green method. • Synergistic effects improved the capture ability for U(VI) on 3D GA/TiO 2 than GO, rGO and TiO 2. • The adsorption energy of U(VI) onto 3D GA/TiO 2 was calculated to be 1.60 eV. • Interaction mechanism was electrostatic interaction and inner-sphere surface complexation. Three-dimensional graphene/titanium dioxide nanoparticle hybrids (3D GA/TiO 2) were fabricated and revealed excellent removal properties for uranyl ions. [ABSTRACT FROM AUTHOR]