Adsorption-desorption Performance Research Articles

A "cyclodextrin-salicylic acid-chitosan" bifunctional monomer magnetic hydrophilic imprinted sandwich gel for targeted adsorption and slow release of ginkgolic acid.

This study aims to address the challenge of detoxifying ginkgolic acid and transform it from waste into a valuable resource. By using pseudo-template molecular imprinting technology to chemically modify polysaccharide materials, we developed a polysaccharide-based molecular imprinted material (MMCC-CD/CS-MIP) for the targeted separation and controlled release of ginkgolic acid. Under optimal conditions, MMCC-CD/CS-MIP demonstrated excellent adsorption performance (Qmax=47.786mgg-1) and desorption performance (QD=42.33mgg-1), with a desorption rate of 88.58%. In addition, the material exhibited outstanding selectivity, stability, recyclability, antibacterial activity, and sustained-release properties, with a cumulative release rate of 95.57% over 72h. The release data followed the Korsmeyer-Peppas model, while the adsorption behavior fit a multi-layer heterogeneous adsorption model (Freundlich model) and conformed to a second-order kinetic model. Thermodynamic analysis confirmed that the adsorption of ginkgolic acid by MMCC-CD/CS-MIP is both feasible and spontaneous. MMCC-CD/CS-MIP provides a promising solution for the detoxification of medicinal components.

Sodium cation exchanged zeolites for direct air capture of CO2

Direct air capture technology requires investigating materials that can capture carbon dioxide inexpensively and efficiently, considering their performance under real atmospheric conditions. This study systematically investigated the CO2 adsorption-desorption performance of the representative zeolites (ZSM-5, Beta, Mordenite and Y) in H- and Na-forms using various analytical methods, including in-situ Diffuse Reflectance Infrared Fourier Transform spectroscopy. Compared to the corresponding H-zeolites, the enhancement of CO2 adsorption capacity by Na+ ions was observed for all the structure-type zeolite adsorbents. The Na-ZSM-5 showed excellent performance in the direct air capture of CO2 (DAC) due to its relatively smaller pore size and stronger acid-basic properties. The effective adsorption capacity of Na-ZSM-5 was pronounced at lower Si/Al ratios, making it the most efficient low-concentration CO2 adsorbent. The low silica Na-ZSM-5 exhibited a durable adsorption-desorption capacity after multiple cycles, indicating its practical reusability. When applied to real atmospheric air conditions, this low silica Na-ZSM-5 effectively adsorbed CO2 in the presence of oxygen and moisture, emphasizing its potential for a direct air capture adsorbent. This study provides insights into the properties of zeolites for CO2 capture from air, highlighting their potential as effective DAC sorbents that can be produced on a large scale.

CO2 selectivity and adsorption performance of K2CO3-modified zeolite: a temperature-dependent study.

High-performing zeolite materials for carbon dioxide capture are promising for applications such as flue gas CO2 capture. Potassium carbonate-loaded zeolites can offer a plethora of benefits. In this work, for the first time, zeolite-Y impregnated with K2CO3 was studied as a gas adsorbent (CO2, CH4, and N2) and characterized using TGA (thermogravimetric analyzer), XRD, BET, FTIR, FETEM (Field-Emission Transmission Electron Microscope), and XPS. The effect of carbonate loading, temperature, and pressure was particularly targeted and assessed. Accordingly, for a variation in K2CO3 loading from 5 to 15 wt.%, the CO2 adsorption capacity reduced from 3.61 to 1.73mmolg-1 in the synthesized adsorbents. Among all the cases, KYZC10 exhibited very good cyclic adsorption-desorption performance and thermal stability. Further equilibrium modeling studies indicate that the stable and optimally K2CO3-loaded adsorbent (KYZC10) demonstrates effective adsorption isotherm behavior, making it suitable for different temperature variation processes in commercial carbon dioxide capture applications. The KYZC10 adsorbent's stable performance at varying temperatures contributes to its enhanced economic feasibility. This study also used the ideal adsorbed solution theory (IAST) to predict CO2 selectivity over other gases (CH4 and N2).

Fractal Strategy for Improving Characterization of N2 Adsorption–Desorption in Mesopores

The current studies primarily analyze the heterogeneity and complexity of mesopore structures based on low-temperature nitrogen (N2) adsorption curves and the Frenkel–Halsey–Hill (FHH) fractal model. However, these studies ignore the fact that the low-temperature N2 desorption curve can also reflect the desorption performance of the mesopore structure. In this research, novel fractal indicators for characterizing the adsorption–desorption performance of mesopores based on the fractal dimension from the N2 adsorption curves and N2 desorption curves are proposed. The novel fractal indicators I1 and I2 are applied to evaluate the adsorption–desorption performance of mesopores with pore size 2–5 nm and pore size 5–50 nm, respectively. The fractal indicator I1 shows an increasing trend with coalification, reflecting that the gas adsorption performance of 2–5 nm mesopores is enhanced with coalification. The fractal indicator I2 exhibits a trend of first increasing and then decreasing with coalification, indicating the gas desorption performance of mesopores with pore size 5–50 nm decreases first and then increases. The proposed indicators provide novel analytical parameters for further understanding the gas adsorption–desorption mechanism of porous coal-based or carbon-based materials.

Exploration of the adsorption and desorption performance of volatile organic compounds by activated carbon with different shapes based on fixed-bed experiments

Activated carbon (AC) has been widely used in volatile organic compounds (VOCs) treatment of industrial exhaust gases. Rather than modifying specific pore size distributions and surface properties, altering the shape of AC offers a more feasible approach to enhance its adsorption performance. This study investigates the adsorption-desorption performance of two different shaped ACs with highly similar properties for the removal of VOCs. The clover-shaped AC (CSAC) has a 27.46% lower internal void fraction and a 39.10% higher external void fraction compared to cylindrical AC (CAC), resulting in denser packing and longer contact time with VOCs. Adsorption experiments showed the CSAC has 40% longer adsorption breakthrough (BT) times for ethanol, ethyl acetate, and n-hexane on average, and 20% higher saturation adsorption capacity per unit volume. CSAC also has higher partition coefficients, with the highest values for ethanol, ethyl acetate, and n-hexane being 0.0187, 0.0382, and 0.0527 mol kg−1·Pa−1, respectively. The desorption process for selected VOCs is non-spontaneous and endothermic. Optimal desorption conditions were identified as an inlet space velocity of 3535 h−1, a desorption temperature of 150 °C, and a pulsed inlet method. To investigate the possibility of the application of CSAC in real-world scenarios, xylene was chosen as a representative industrial VOC. Results showed CSAC has 20% higher BT time and saturation adsorption capacity for xylene compared to CAC under different bed heights. The desorption efficiency for xylene on both ACs is below 40%. With increasing xylene inlet concentration, the mass transfer zone (MTZ) height initially increases but stabilizes beyond 1704 mg m−3. At identical bed heights, the MTZ height of CSAC is 29% shorter than CAC, indicating a higher bed utilization efficiency.

Enhanced F[sbnd] adsorption and regeneration efficiency of pectin anchored on hydroxyapatite (HAp/PEC) nanocomposites

The highly toxic fluoride (F) ions were effectively removed using hydroxyapatite/pectin (HAp/PEC) nanocomposites. The HAp/PEC nanocomposites were prepared through co-precipitation followed by the lyophilization technique. The incorporation of PEC (14%) improved HAp's colloidal stability, specific surface area (2.3 times), and F ion affinity due to its three distinct surface functional groups: carboxyl (COO), hydroxyl (OH), and methyl ester (COOCH3). These functional groups are responsible for F adsorption and also develop the electrostatic interaction between the adsorbent and F ions. The HAp/PEC4 nanocomposite achieved 244 times higher F adsorption capacity (178 mg/g at pH 7 within 10 min) than other reported PEC-based adsorbents. The adsorption behaviour (ion exchange and surface complexation) and their capacity were dependent on the pH value of the adsorbate. The adsorbed F ion was monolayered chemisorption, validated by Langmuir and pseudo-second-order kinetics. Furthermore, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) analyses confirmed the structural stability after F adsorption. The HAp/PEC4 nanocomposite also demonstrated sustainable adsorption-desorption performance (81%) up to 10 consecutive cycles. The results of this investigation indicate that HAp/PEC nanocomposite, synthesized via the lyophilization technique, holds tremendous potential as an effective adsorbent for removing F ions from water.

The O-Defective g-ZnO Sensor for VOC Gases: The Adsorption-Desorption, Electronic, and Sensitivity Properties.

Adsorption-desorption performance, electronic properties, and sensitivity of O-defective g-ZnO (ODZO) gas sensors for volatile organic compounds (VOCs) are calculated using density functional theory and nonequilibrium Green's formalism. The VOCs are CH2O, CH4, C2H4O, CH4O, and C2H6. The intrinsic g-ZnO (IZO) and ODZO exhibit strong adsorption capabilities for C2H4O and CH4O. The IZO (0.118 e) and ODZO (0.059 e), which act as electron donors, exhibit the highest charge transfer to CH2O, indicating a strong interaction. The VOCs adsorption on the IZO and ODZO systems maintain nonmagnetic semiconductor characteristics. Additionally, the introduction of an O-defect causes the adsorption energy and charge transfer amount of ODZO to show an overall decrease, indicating better desorption ability. Notably, the sensitivity results show that the ODZO gas sensors exhibit high sensitivity to CH2O (39.3%), C2H4O (29.0%), and CH4O (19.6%) at a voltage of 2.6 V, consistent with the adsorption-desorption performance and electronic properties.

Micropatternable Ink Composed of MAX Phase ZIF-8 for Gas Sensing Applications

This work provides a detailed introduction to the preparation methods, structural characteristics, and various performance tests of the Ti3C2/ZIF-8 composite material. Initially, the composite material is obtained through the synthesis, mixing, and subsequent processing of MXene solution and ZIF-8 nanoparticles. The coating structure and properties were comprehensively characterized using SEM, TEM, and XRD. These analyses revealed the material's layered structure, high crystallinity, and surface activity. BET analysis of Ti3C2/ZIF-8 also shows excellent gas adsorption-desorption performance, having an especially high-efficiency adsorption capacity for VOCs. TGA further demonstrates the thermal stability and chemical stability of Ti3C2/ZIF-8 and its printability was tested indicating widespread application potential in coating preparation through ultrasonic spray technology. Finally, we show methods to regulate and control coating thickness and roughness for precision manufacturing. These analyses together emphasize the application value of Ti3C2/ZIF-8 in fields such as gas-storage, gas-separation, and environmental monitoring.

Dynamic breakthrough performance of low concentration CO2 adsorption in fixed-bed column with porous amino acid ionic liquid composites

Low concentration carbon dioxide (CO2) capture from air or confined spaces currently faces significant challenges, such as relatively poor dynamic adsorption breakthrough performance and cyclic stability. In our previous work, functionalized ionic liquid (IL) tetraethylammonium glycine ([N2222][Gly]) and porous molecular sieve (SBA-15) were combined to synthesize porous amino acid IL composite 60 wt% [N2222][Gly]@SBA-15 with microporous and ultra-microporous structures, which provide a new pathway for low concentration CO2 capture. In order to further obtain the dynamic CO2 adsorption breakthrough performance of this material under simulated actual working conditions, the effects of temperatures, relative humidity (RH) and CO2 concentrations on CO2 adsorption and desorption breakthrough performance of 60 wt% [N2222][Gly]@SBA-15 in a fixed-bed column were systematically studied in this work. The results indicated that CO2 adsorption capacity is up to 1.81 mmolCO2/g-adsorbent at 298.15 K, 1 bar and 0 % RH under 1 vol% CO2-containing gas mixture balanced with N2 and reaches 2.44 mmolCO2/g-adsorbent at 15 % RH due to the mechanism change of CO2 reaction with primary amine from 2: 1 under dry gas to 1: 1 stoichiometry in the presence of moisture. Moreover, the adsorbent maintains good cyclic adsorption-desorption performance. Further, CO2 adsorption breakthrough behaviors were well fitted by Avrami kinetic model, and the CO2 adsorption rate of 60 wt% [N2222][Gly]@SBA-15 was controlled by intra-particle diffusion. This work implied that IL-modified adsorbents have great potentials for low concentration CO2 capture applications.

Efficient removal of tizanidine and tetracycline from water: A single and competitive sorption approach using carboxymethyl cellulose granulated iron-pillared clay

This study deals with the development of a granulated Fe-pillared clay (Fe-PC) using carboxymethylcellulose (CMC) as a binder to present it as an innovative adsorbent for the individual and competitive adsorption of tetracycline (Tc) and tizanidine (Tz) from water. An optimum pH value of 7 was determined for both individual and multi-component adsorption. The optimal dosage of granulated Fe-PC was determined to be 1.5 g/L for Tz and 3 g/L for Tc, resulting in constant removal rates of 80 % for Tc and 90 % for Tz. Tizanidine showed a higher affinity for powdered or granulated Fe-PC compared to tetracycline, due to its smaller molecular size and increased amine functional groups. Consequently, Tz showed improved kinetic rates (initial pseudo-second order sorption rates of 170.79 and 25.62 mg/g.h for Tz and Tc, respectively) and equilibrium capacities (maximum monolayer adsorption capacity of granulated Fe-PC at room temperature over Tc and Tz, 54.89 mg/g and 66.40 mg/g). Granulation affected the kinetic rate for both adsorbates, albeit with a more pronounced effect for Tc. The adsorption of Tz was less sensitive to temperature changes, indicating a lower enthalpy change of adsorption (14.24 and 77.91 kJ/mol for Tz and Tc, respectively). HCl for Tc and NaCl for Tz were identified as optimal desorption eluents, confirming the involvement of cation exchange in Tz adsorption. Surface functional group analysis confirmed the proposed complexation mechanisms. Tz consistently showed a higher affinity for granular Fe-PC than Tc, especially at lower adsorbent dosages. This article provides a comprehensive insight into the characterization of the prepared adsorbents and their cyclic adsorption-desorption performance for Tc and Tz.

Phonon transport characteristics of α, β, and γ crystalline phases of magnesium hydride from first-principles-based anharmonic lattice dynamics

The superior gravimetric and volumetric hydrogen capacities of magnesium hydride (MgH2) make it a promising candidate material for solid-state hydrogen storage. However, the slow kinetics of hydrogen atoms and the high thermodynamic stability of MgH2 hinder its practical application. To address the challenging issue of adsorption–desorption in MgH2, structural engineering involving nanostructuring has been used to improve the hydrogen-storage characteristics of this material. However, although structural engineering and thermal management significantly influence material properties, no microscopic understanding of the heat conduction property of pristine MgH2 exists. Further advances in the thermal engineering of MgH2-based hydrogen-storage materials require a better understanding of heat conduction in pristine MgH2, particularly knowledge of how the crystalline phases of MgH2 depend on the hydrogen concentration and external pressure. This study uses first-principles-based anharmonic lattice dynamics to quantitatively investigate the intrinsic thermal conductivity of heat-carrying phonons in pristine MgH2 with three different crystalline phases α, β, and γ. The results show that the thermal conductivity of MgH2 depends on the crystalline phase and that the magnitude of the thermal conductivity increases in the order α, γ, and β. In contrast, the volumetric heat capacity and mean squared displacements of the constituent atoms are similar for all three phases. Furthermore, as observed for the pressure dependence of phonon transport, increasing the pressure reduces the thermal conductivity of all phases. However, for the γ and β phases, these reductions are relatively moderate because of the competing effects of group velocity and relaxation time, which have opposite dependencies on pressure. Finally, modal analysis indicates that the spectral features of the phonon transport properties under an applied external pressure are comparable to those at atmospheric pressure. These results should help tailor the heat dissipation of MgH2 while maintaining its hydrogen adsorption–desorption performance through structural engineering.

Direct CO2 capture from simulated and Ambient Air over aminosilane-modified hierarchical silica

Aminosilane-modified Hierarchical silica, HSA and HST-based adsorbents were synthesized by aminosilanization using Hierarchical silica (HS) with 3-aminopropyltriethoxysilane (APS) and N1-(3-trimethoxysilylpropyl)diethylenetriamine (TMPTA), respectively, and characterized to establish their physicochemical, structural, morphological, and porosity properties. Their CO2 adsorption performance was evaluated under direct air capture (DAC) conditions: 1) simulated air with CO2 concentration of 400 ppm in helium (He) at 30 °C and 2) indoor air with CO2 concentration ≥400 ppm at 30 °C, where HSA and HST modified with 70 wt% of respective aminosilanes outperformed others. The modified HS adsorbents showed an increase in kinetics, CO2 uptake under dry and humid conditions, stable cyclic adsorption-desorption performance, moderate enthalpy of desorption indicating a dominant chemisorption mechanism. Under dry and humid simulated air conditions (400 ppm CO2 in He), HSA-70 displayed a CO2 uptake of 0.82 mmol/g and 1.70 mmol/g, respectively, while HST-70 exhibited enhanced CO2 uptake of 1.54 mmol/g and 2.08 mmol/g, respectively. Cyclic stability of HSA-70 and HST-70 was confirmed through five thermal swing adsorption (TSA) cycles. In addition to this, their use for indoor air CO2 capture was also explored through ten short TSA cycles. Developed HSA-70 and HST-70 adsorbents exhibited more selectivity for CO2 over water, demonstrating their usage in practical direct air CO2 capture application.

Nanosilica polyamidoamine dendrimers for enhanced direct air CO2 capture.

Exploring efficient systems to recover CO2 from the atmosphere could be a way to address the global carbon emissions issue. Herein, we report the synthesis of nanosilica (NS) functionalized with polyamidoamine (PAMAM) dendrimers (NS-PAMAM) as efficient adsorbents for CO2 capture under simulated direct air capture (DAC) (400 ppm CO2 in helium at 30 °C) and indoor air (≥400 ppm, 50 ± 3% RH at 30 °C) conditions. The results inferred that the 1st (NS-G1.0), 2nd (NS-G2.0), 3rd (NS-G3.0), and 4th (NS-G4.0) generations of the NS-PAMAM dendrimers exhibited excellent performance for CO2 capture. Compared to the other generations, NS-G3.0 demonstrated superior CO2 adsorption capacities of 0.50 mmol g-1 under simulated dry CO2 conditions (400 ppm in He), 1.02 mmol g-1 under indoor air (dry) CO2 conditions (≥400 ppm, 26 ± 3% RH), and 1.54 mmol g-1 under indoor air (humid) CO2 conditions (≥400 ppm, 50 ± 3% RH). The study included the evaluation of CO2 adsorption-desorption performance of the NS-PAMAM dendrimers under varying structural and chemical parameters, kinetics, regeneration at low temperature (80 °C), as well as CO2 adsorption under humid conditions. Additionally, NS-G3.0 displayed a substantially superior performance with stable CO2 capture displayed during ten short temperature swing adsorption (TSA) cycles, making it a promising candidate for CO2 capture from ambient air. Finally, we demonstrated the recovery and reutilization of the captured CO2 for both the synthesis of formate via carbonate hydrogenation and for the production of calcium carbonate pellets.

Preparation of CPVC-based activated carbon spheres and insight into the adsorption-desorption performance for typical volatile organic compounds

Chlorinated polyvinyl chloride (CPVC)-based activated carbon spheres with smooth surfaces, good sphericity, interconnected hierarchical porous structure and high porosity have been synthesized by non-solvent induced phase separation method, followed by successive treatments of stabilization, carbonization at 450 °C in N2 atmosphere, and activation with CO2 as an agent at 900–1000 °C. The effect of activation temperatures on the textural properties of activated carbon spheres and their adsorption potential for volatile organic compounds (VOCs) under dynamic conditions is investigated. CO2 activation improves the hierarchy in the microporous range by stimulating the formation of supermicropores and significantly expands the specific surface area and pore volume of activated carbon spheres. The textural properties of adsorbents play a vital role in the adsorption performance of different VOCs. The adsorption capacity of VOC molecules can be greatly promoted by elevating specific surface area and pore volume. Due to the compatibility difference between the VOC molecules and the pore structure of adsorbents, the adsorption capacity follows the order of toluene > m-xylene > n-hexane. The adsorption isotherm of toluene on CPVC-AC1000 can be generally expressed by the Langmuir model. The adsorbents with larger average pore diameters possess a lower activation energy of desorption, which is beneficial for desorption. The carbon sphere activated at 1000 °C is a high-performance adsorbent with good reusability. Thus, the present study provides a synthesis process to produce the activated carbon spheres with high porosity from low-cost CPVC for its application in VOC adsorption.

Poly(2-vinylpyridine)/MCM-41 Composites with Micropores and Switchable Mesopores for the Removal of Cr(VI).

Porous structure design and reversible regulation of pore size during adsorption-desorption are crucial to the removal of pollutants in water such as Cr(VI). In this paper, micropores and switchable mesopores were constructed on MCM-41 to further improve adsorption-desorption performance of Cr(VI) via the confinement effect of micropores and opening and closing of mesopores. 2-Vinylpyridine was introduced and polymerized into the pores and on the pore mouth of MCM41 modified by C═C group (AM41) under the irradiation of ultraviolet light. The obtained samples (PM41) possessed mesopores (2.73 nm) and micropores (1.36 nm), where mesopores could open or close under different pH and micropores showed the confinement effect because their pore size is close to Cr(VI) diameter (0.87 nm). Compared with MCM-41, the introduction of poly(2-vinylpyridine) enhanced obviously its adsorptive ability and it trapped most of the Cr(VI) (99%) in solution, 12 times higher than that of the parent sample. The change of pore size is favorable to the cycle performance, and after 3 times recycling, the removal rate of Cr(VI) by PM41-20 remained above 88%. Langmuir isotherm showed a better data correlation than the Freundlich model. Cr(VI) in solution was removed by electrostatic interaction between the pyridine group and Cr(VI) and the confinement effect from micropores.

Adsorption performance and mechanism of Li+ from brines using lithium/aluminum layered double hydroxides-SiO2 bauxite composite adsorbents

A combined method of solid-phase alkali activation and surface precipitation was used to prepare the lithium/aluminum layered double hydroxides-SiO2 loaded bauxite (LDH-Si-BX) and applied to adsorb Li+ in brines. In the study, various characterization techniques such as SEM, XRD, BET, Zeta potential, and x-ray photoelectron spectroscopy (XPS) were applied to characterize and analyze the adsorbents. The adsorption-desorption performance of LDH-Si-BX for Li+ in brines was systematically investigated, including adsorption temperature, adsorption time, Li+ concentration, and regeneration properties. The results indicated that the adsorption kinetics were better fitted by the pseudo-second-order model, whereas the Langmuir model could match the adsorption isotherm data and the maximum Li+ capacity of 1.70 mg/g at 298K. In addition, in the presence of coexisting ions (Na+, K+, Ca2+, and Mg2+), LDH-Si-BX showed good selective adsorption of Li+, and the pH studies demonstrated that the adsorbents had better Li+ adsorption capacity in neutral environments. In the adsorption process of real brines, LDH-Si-BX had a relatively stable adsorption capacity, and after 10 cycles of adsorption and regeneration, the adsorption capacity decreased by 16.8%. It could be seen that the LDH-Si-BX adsorbents prepared in this report have the potential for Li+ adsorption in brines.

Self-Powered TENG with High Humidity Sensitivity from PVA Film Modified by LiCl and MXene.

Triboelectric nanogenerators (TENGs) are promising for a variety of applications that require a reliable output performance and stability. In this work, by utilizing the synergistic effect of lithium chloride (LiCl) and MXene, poly(vinyl alcohol) (PVA) based composite films with humidity-sensitive properties were prepared and employed as a friction layer to achieve self-powered TENGs with enhanced output performance under high humidity. The composite material demonstrates exceptional and stable output performance in the humidity range of 30-95% while exhibiting a strong linear correlation with increasing relative humidity (RH). At 95% RH, its short-circuit current increases up to 31.91 μA, which is three times the output of the TENG fabricated by PVA and PTFE (P-TENG). The rich hydroxyl group in PVA, the strong hygroscopicity of LiCl, and the microcapacitor network provided by MXene nanosheets significantly improve the water absorption capacity and surface roughness of the composite material, resulting in an excellent triboelectric output of TENG. Short-circuit current of the TENG in a wide range of RH (from 50% to 98%) responds very sensitively to humidity fluctuations in the environment and superior adsorption-desorption performance as humidity decreases. Furthermore, TENG regarded as a power supply in high humidity conditions was realized and it can light up 240 LEDs instantaneously with the transfer charge density of TENG reaching 194.37 μC m-2. This technology presents an effective method for stable energy harvesting and self-powered sensing in fog, the ocean, and other high-humidity environments.

Efficient methotrexate adsorption on magnetic-functionalised UiO-66-NH2: Selectivity, mechanisms and recycling

Due to their non-specific toxicity, environmentally discharged anticancer drugs can significantly threaten aquatic organisms and human health. This study prepared highly stable magnetic composites with a multicore-shell structure, Fe3O4 @EDTA@UiO-66-NH2 (FEU), and their adsorption behaviour towards methotrexate (MTX, a typical anticancer drug in water) was investigated. The highest adsorption capacity of FEU for MTX reached 262.5 mg⸱g−1, much higher than most reported magnetic adsorbents. FEU showed excellent selectivity for MTX, four and nine times that of ibuprofen and sulphadiazine, respectively. Zeta potential and X-ray photoelectron spectroscopic analyses and GCMC simulations revealed that the MTX adsorption mechanism on FEU was primarily through hydrogen bonding and electrostatic interactions. Also, pH significantly affected the adsorption, guiding the study of the reversible adsorption-desorption performance of FEU. In addition, FEU exhibits good cycling performance, with only a 10% decrease in adsorption capacity after five regeneration cycles. Moreover, the composite exhibited excellent magnetic properties, allowing for rapid recovery by magnets after adsorption. This study provides new ideas for preparing materials with high adsorption performance of MTX for material recycling and sustainable use.

Cu-doped NiO for detection of CO,CO2 and CF4 in SF6 circuit breaker organic insulation material: A first-principles study

In this paper, based on density functional theory, use the reliable Cu atom to modify the surface of NiO. The competitive adsorption performance, sensitive characteristics and desorption performance of the Cu-NiO molecular model for CO, CO2 and CF4 gas are studied. The results showed that The stable state of gas molecules has an impact on the adsorption behavior, especially CO2 and CF4. However, Cu-NiO promotes electron exchange for CO adsorption, obtaining higher adsorption energy(Eads=−2.043eV), and exhibits stable desorption characteristics as the temperature gradually increases. This indicates that Cu-NiO has a high sensitivity and selectivity for CO adsorption.

Violet Antimony Phosphorus with Enhanced Photocatalytic Hydrogen Evolution.

Violet phosphorus (VP), a recently confirmed layered elemental structure, is demonstrated to have unique photoelectric, mechanical, and photocatalytic properties. Element substitution plays a significant role in modifying the physical/chemical properties of semiconducting materials. Herein, antimony is adopted to substitute some phosphorus atoms in VP crystals to tune their physical and chemical properties, resulting in a significantly enhanced photocatalytic hydrogen evolution performance. The antimony-substituted violet phosphorus single crystal (VP-Sb) is synthesized and characterized by single crystal X-ray diffraction (CSD-2214937). The bandgap of VP-Sb has been found to be lowered from that of VP by UV/vis diffuse reflectance spectroscopy and density-functional theory (DFT) calculation, enhancing the optical absorption during photocatalytic reaction. The conducting band minimum of VP-Sb is found to be upshifted from that of VP from measurements and calculation, enhancing its hydrogen reduction activity. The valance band maximum is found to be lowered to weaken its oxidation activity. The edge of VP-Sb is calculated to have an excellent H* adsorption-desorption performance and superior H2 generation kinetics. The H2 evolution rate of VP-Sb is demonstrated to be significantly enhanced to be 1473 µmol h-1 g-1 , about five times of that of pristine VP(299µmol h-1 g-1 ) under the same experimental conditions.