With the rapid advancement of the electronics industry, the demand for new electromagnetic interference (EMI) shielding materials has grown substantially in recent decades. In response, a wide range of novel materials are being investigated as alternatives to conventional metals. Consequently, lightweight EMI shielding materials designed for miniaturized and highly integrated electronic devices have attracted increasing attention. Two-dimensional (2D) transition metal dichalcogenides (TMDs) offer several advantages—such as excellent thermal and chemical stability, tunable electrical conductivity, unique layered structures, and ultrathin thickness—making them promising candidates for EMI shielding. This review summarizes recent advances in TMDs and their nanocomposites for EMI shielding, highlighting synthesis strategies and offering in-depth analysis of shielding effectiveness, thickness, flexibility, and underlying mechanisms. In addition, the current challenges and future prospects of TMD-based EMI shielding materials are discussed.

To solve the problem of potential food safety hazards and environmental hazards associated with artificial sweeteners as emerging pollutants, an eco-friendly aerogel (PSPI-GO) consisting of polyethyleneimine-modified soy protein isolate (PSPI) and graphene oxide (GO) was constructed to efficiently eliminate saccharin (SAC), a typical artificial sweetener in water. The equilibrium adsorption capacity of PSPI-GO for SAC was 293 mg/g, which removed 91% of SAC. PSPI-GO exhibited a highly porous structure and excellent renewability. Multiple quantum chemical theory calculations including electrostatic potential (ESP), frontier molecular orbital (FMO), independent gradient model based on Hirshfeld partition (IGMH), and Hirshfeld surface analysis (HSA) further elucidated that electrostatic attraction, hydrogen bonding, and inter-molecular interactions dominate the adsorption process. This work achieved high-value utilization of SPI while providing a new strategy for efficient removal of SAC. The research strategy integrating analysis of macroscopic mass transfer mechanisms and visualization of the adsorption mechanism provides a new perspective for in-depth understanding of inter-molecular adsorption behavior.

In this study, a quaternary ammonium-modified chitosan aerogel (QCSA) was developed for the decolorization of remelt syrup. Caramel pigments (a representative pigment from remelt syrup) were used as the adsorption model substrate to study the adsorption performance of QCSA. A novel Wen Li-Wei Wei adsorption mass transfer mixed (LWAM) phenomenological mathematical model was used to analyze the mass transfer mechanism of QCSA adsorption of caramel pigments. Density functional theory (DFT) was used to investigate the microscopic interaction mechanism of QCSA adsorption of caramel pigments. The results showed that the equilibrium adsorption capacity of QCSA for caramel pigments at initial concentrations of 60, 80, and 100 mg/L were 198, 263, and 308 mg/g and the corresponding decolorization rates were 99.8%, 98.2%, and 92.4%, respectively. Analysis using the LWAM phenomenological mathematical model showed that the adsorption rate-limiting steps were jointly determined by external diffusion, internal diffusion, and site binding. The DFT analysis showed that the adsorption mechanism of caramels by QCSA was dominated by electrostatic interactions. Weak interactions, such as hydrogen bonds, occurred between the oxygen atoms of –COO^–/–COOH (caramel pigment) and the hydrogen atoms of –OH/–NH₃⁺ (protonated QCSA), with caramel pigment molecules serving as hydrogen bond acceptors. Among them, O···H H-bonds played a significant role, accounting for 37.88% of the total H-bond superficial area. In summary, the LWAM phenomenological mathematical model can accurately calculate the capture amounts of liquid films, pore channels, and sites at any time during the adsorption process, thereby providing a new perspective for elucidating the underlying mass transfer mechanism. DFT analysis facilitates the understanding of intermolecular interactions in adsorption systems at the atomic level, offering theoretical support for optimizing adsorbent design.