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Interlayer functionalization modulation is essential for modifying LDHs and improving their selectivity and adsorption capacity for target pollutants. In this work, Glu@NiFe-LDH was synthesized using a simple one-step hydrothermal method and tested for its ability to remove CrO42− from wastewater. The modification significantly increased the composite material's removal ability by 2–3 times, up to 98.36 mg g−1. The behavior of CrO42− adsorption on Glu@NiFe-LDH was further studied by adjusting the affecting factors (i.e., temperature, pH, contact time, initial concentration, and interfering substance), and the adsorption behavior was confirmed as a spontaneous and chemisorption process. And the result was that Glu@NiFe-LDH demonstrated high capacity, efficiency, stability, and selectivity for the adsorption of CrO42− in a single electrolyte and natural water containing competing anions. Furthermore, molecular dynamics simulations (NVT ensemble) were employed to further reveal the mechanism of glutamic acid modification on LDH at the microscopic scale. Additionally, the IRI analysis method revealed the mechanism of weak interaction between glutamic acid molecules and CrO42−. This study provides a detailed understanding of the intercalation mechanism involved in the amino acid modification of LDHs. It explains the adsorption mechanism of metal oxo-acid radicals by amino acid-modified LDHs from a theoretical perspective. The findings offer experiments and a theoretical basis for designing targeted adsorbents in the future. [ABSTRACT FROM AUTHOR]

[Display omitted] • High dispersion and stable attachment of LDH on nitrogen and sulfur doped porous carbon (NSPC). • The synergistic effect of LDH and NSPC enhances the adsorption of heavy metal ions. • The adsorption mechanism was attributed to surface complexation. Layered double hydroxides (LDHs) composites (NSPC@LDH) were successfully prepared on nitrogen and sulfur-doped porous carbon (NSPC) by a simple co-precipitation method. The synergistic effect between the modified porous carbon and LDH enhanced its adsorption performance. Compared with pure LDH, the composite had a larger specific surface area (188.78 m2/g) and pore structure with a smaller crystallite size (4.56 nm). The porous carbon carrier effectively mitigated the aggregation effect of LDH. The maximum adsorption capacities of NSPC@LDH for Zn2+ (100 ppm) and Cu2+ (100 ppm) were 125.7 mg/g and 137.5 mg/g, respectively, which were 2.85 and 2.39 times the original LDH. The XRD and XPS studies of the adsorbent after adsorption revealed that surface complexation and physical adsorption played a dominant role in the removal of Zn2+ and Cu2+, and the introduction of N, S heteroatoms provided more active centers for heavy metal ions. Moreover, after five desorption cycles, NSPC@LDH still exhibited high removal efficiency. The results indicated that the synthesized NSPC@LDH composites have great potential for removing Zn2+ and Cu2+ from aqueous solutions. [ABSTRACT FROM AUTHOR]

[Display omitted] • The universal low carbon mass loading was used in capacitive deionization (CDI) for efficient deionized (DI) water production. • Partial desalination performance weakened with increasing carbon mass loading. • CDI cells using YEC-8–5.81 as electrodes produced DI water with a low conductivity of 1.89 μS/cm. • Carbons with a suitable micro- meso pore distribution and high specific capacitance may be a better choice. • 82.2% DI water recovery was achieved under stopped flow (SF) discharge mode. High-purity deionized (DI) water can be widely used in high-end manufacturing fields, but its efficient and energy-saving production is a huge challenge. Here, simple carbon mass loading control was developed for efficient DI water production via advanced capacitive deionization (CDI). Supercapacitor carbon (YEC-8) electrodes with diverse mass loading of 2.50, 5.81, 12.63 and 24.72 mg/cm2 were prepared for desalination. As expected, YEC-8–2.50 acquired the optimal CDI performance. High mass loading of 12.63 and 24.72 mg/cm2 not only caused an overt property drop but also serious wasted materials. Competitively, YEC-8–5.81 achieved a similar volumetric adsorption capacity (VAC) to YEC-8–2.50 as well as made up for the lack of total mass of YEC-8–2.50 and the resultant solution conductivity was as low as 1.89 μS/cm (grade III DI water). This strategy has been successfully extended to other carbon materials and carbons with suitable micro- meso pore distribution and high specific capacitance may be a better choice. Besides, the reverse effect of acetylene black (AB) mass on desalination was verified. To gain a high water recovery (W R), stopped flow (SF) discharge was introduced and realized a high W R of 82.2 %. Meanwhile, cycling tests indicated its splendid cycling stability. This study provides a universal direction for using low mass loading strategy for efficient DI water production. [ABSTRACT FROM AUTHOR]