Adsorption Performance Research Articles

Preparation of mesoporous biogas residue biochar via a self-template strategy for efficient removal of ciprofloxacin: Effect of pyrolysis temperature

Biochar preparation and application is an anticipated pathway for the resource utilization of biogas residue. In this study, biochars were prepared by the pyrolysis of biogas residue from food waste anaerobic digestion (named as BRBCs) under various pyrolysis temperatures (300, 500, 700, and 900 °C), and the effect of pyrolysis temperatures on the physicochemical characteristics of BRBCs was examined. The adsorption performance toward ciprofloxacin (CIP), a typical antibiotic in waterbodies, was also investigated. The results showed that pyrolysis temperature significantly changed the physicochemical properties of BRBCs. In addition, the minerals in the biogas residue, especially SiO2, were rearranged to form a mesoporous structure in biochar through a self-template strategy (without activator). BRBC prepared at 900 °C exhibited a high specific surface area and pore volume, well-developed mesopore structure, and more carbon structure defects, and exhibited the largest CIP adsorption capacity with 70.29 mg g−1, which was ascribed to the combined interaction of pore diffusion, π–π interactions, hydrogen bonding, complexation, and electrostatic forces. Furthermore, the adsorption of CIP by BRBC900 was well described by two-compartment kinetic and Langmuir isotherm models. BRBC900 showed good adsorption performance toward CIP at pH 7–9. The adsorption of CIP by BRBC is a spontaneous, exothermic, entropy-increasing process. Moreover, BRBC also presented a good recycling potential. Therefore, the preparation of mesoporous biochar based on a self-template strategy not only provides an option for the resource utilization of biogas residue but also offers a new option for the treatment of antibiotic wastewater.

Simply-prepared hollow covalent organic framework as a dual-function platform for detection and removal of multiple heavy metal ions

Covalent organic frameworks (COFs) show great advantage in heavy metal ions detection and removal due to their large specific surface area, high porosity, excellent stability, and abundant functional sites. While current research primarily focuses on the influence of COF composition on detection and adsorption performance, the influence of COF′s morphology is often overlooked. In this study, a hollow structured TB-HCOF was developed through simple amorphous-to-crystalline transformation strategy involving the reaction between 1,3,5-Tris (4-aminophenyl) benzene (TAPB) and 1,3,5-benzenetricarbaldehyde (BTCA). TB-HCOF combine the advantages of COFs with the unique properties of hollow structure, such as an enlarged surface area, shortened diffusion distance, and easily accessible functional sites. It exhibited exceptional adsorption performance for heavy metal ions with the maximum adsorption capacities of 766.28 mg·g−1 for Pb2+, 759.32 mg·g−1 for Cu2+, and 640.83 mg·g−1 for Hg2+. Additionally, yolk-shell Pt nanoparticles@TB-HCOF was designed as an electrochemical sensing platform for heavy metal ions detection. Thanks to the synergistic effect between TB-HCOF with exceptional adsorption capacity and Pt nanoparticles with remarkable electrical conductivity, the sensor displayed awesome detection performance toward Pb2+, Cu2+ and Hg2+ with low limits of detection of 0.11 ng·L-1. These findings highlight the potential of simply-prepared hollow COFs as a promising material for managing heavy metal ions pollution.

Vacuum pressure swing adsorption intensification by machine learning: Hydrogen production from coke oven gas

Hydrogen is a vital resource in the fight against climate change, and it has the potential to revolutionize the energy sector. Our research focused on optimizing the production of high-purity hydrogen using coke oven gas (COG), a valuable hydrogen source in the steel industry. By leveraging advanced artificial neural networks (ANNs), we can predict the performance and exergy efficiency of a 6-bed 12-step vacuum pressure swing adsorption (VPSA) process accurately and efficiently. The Pareto fronts were addressed by combining the evolutionary algorithm with ANNs, and the effects of operating parameters were discussed in detail. Importantly, we found that our VPSA process can achieve a hydrogen purity of 99.99% with 45.2% exergy efficiency. We also demonstrated that using ANNs can significantly enhance VPSA process optimization, making it a valuable tool for extracting high-purity hydrogen from COG.

Outstanding performance of magnetic La2O2CO3/Fe3O4 nanosheets for simultaneous removal of phosphate and arsenate from wastewater

The chemical similarities and co-occurrence of phosphate and arsenate contamination have heightened the focus on their efficient simultaneous removal. In this study, magnetically recoverable La2O2CO3/Fe3O4 nanosheets were synthesized through the calcination of La-Fe binary metal glycolate. Based on magnetic and adsorption properties, La2O2CO3/Fe3O4 nanosheets with a La to Fe molar ratio of 1:1 (La2O2CO3/Fe3O4-1) were selected for further exploration. Electron microscopy characterization revealed that the nanocomposites consist of stacked La2O2CO3 and Fe3O4 nanosheets. The La2O2CO3/Fe3O4-1 nanocomposites exhibited exceptional adsorption capacities of 114.6 mg P/g and 230.2 mg As/g. Additionally, the material exhibited rapid adsorption kinetics and maintained excellent adsorption performance within a pH range of 3.0 to 9.0, showing significant selectivity for phosphate and arsenate even in the presence of various coexisting ions. Adsorption-desorption cycling tests indicated good potential for recycling. When applied to the spring water of Yangzonghai Lake, the material efficiently reduced the concentrations of phosphate and arsenate from 0.725 mg P/L and 1.380 mg As/L to below 0.020 mg P/L and 0.010 mg As/L, respectively. Mechanistic studies suggest that La2O2CO3 facilitates the removal of phosphate and arsenate primarily through electrostatic attraction and ligand exchange. These findings indicate that La2O2CO3/Fe3O4 holds significant promise for the co-removal of phosphate and arsenate, even at low concentrations.

A comprehensive understanding of the role of sodium sulfate in calcium looping via in-situ experiments and DFT studies: Performance and mechanism

Adding alkali metal salt promoters to calcium-based materials can influence the cycling performance of CaO-based sorbents. So far, most research on alkali metal salts focus on carbonate and chloride salts, while little attention is paid to sulfates. In this paper, we present an in-depth study of the role of Na2SO4 in calcium looping via in-situ experiments and DFT simulations. The results show that the effective conversion rate of Na2SO4-CaO after one cycle is 0.779 with the energy storage density of 2476.1 kJ/kg, while the effective conversion rate of CaO is 0.562 with the energy storage density of 1786.4 kJ/kg. After 80 cycles, the effective conversion and energy storage density of Na2SO4-CaO are lower than CaO, which is attributed to Na+ reducing the surface energy and accelerating the sintering. Moreover, an optimization strategy based on coordination effect among Na2SO4, CaO and inert oxides is proposed to slow down the sintering problems. Among them, Na2SO4-(CaO + ZnO) has the best adsorption performance and energy storage performance and ZnO is cheap, which can be considered a cost-effective sorbent. This work provides a new approach for developing efficient, simple and cost-effective calcium-based materials by simultaneously achieving fast reaction rates and good cycling stability of CaL.

Zeolites synthesis from phyllosilicates and their performance for CO2 adsorption.

Five phyllosilicates (kaolinite, montmorillonite, saponite, sepiolite and palygorskite) have been selected as starting materials for the synthesis of zeolites. Among them, kaolinite and montmorillonite display the lowest Si/Al molar ratio leading to aluminosilicates with high crystallinity. Thus, the hydrothermal treatment under basic conditions forms 4A zeolite when kaolinite is used as starting material while 13X zeolite is obtained when montmorillonite is used as starting material. The microporosity and CO2-adsorption capacity of the prepared zeolites are directly related to its crystallinity. Thus, in order to improve it, raw phyllosilicates were subjected to a microwave-assisted treatment to remove undesired Mg or Fe-species, which have a negative effect in the assembling of the zeolites by hydrothermal basic conditions in a second step. The highest adsorption value was 3.85mmol/g at 25°C and 760mm of Hg for Mont-A-B sample after the consecutive treatments.

Immobilizing of polyethyleneimine on bamboo viscose fiber using epichlorohydrin crosslinker for enhancing adsorption ability with lac dye

AbstractImmobilization of polyethyleneimine (PEI) on bamboo viscose fiber using epichlorohydrin (ECH) crosslinker (ABF‐e‐PEI) was employed to enhance the ability of dyeing with lac. The results from morphological observation, thermal degradation behavior, Fourier transform infrared (FTIR) analysis, x‐ray photoelectron spectroscopy (XPS) and x‐ray diffraction (XRD) clearly revealed the success of PEI‐immobilizing on fiber surface with no significant change in intrinsic properties of the fiber after modification. The modified fiber exhibited fast and efficient adsorption with the adsorption capacity >90 mg/g which was much higher than that of the unmodified adsorbent (did not exceed 10 mg/g). The results from kinetic and isotherm studies showed that the adsorption process conformed to the pseudo‐second‐order, intra‐particle diffusion and Langmuir models. Adsorption temperatures have less effect to the adsorption performance of the modified adsorbent. Electrostatic ion‐dipole interaction between protonated amines of PEI and negative charged sites of lac dye was the main proposed mechanism. Good resistance of color changes for ABF‐e‐PEI was confirmed by the color‐fastness assessment (grade 4–5), suggesting efficient method of PEI‐immobilizing using ECH crosslinker. The binding reaction of between amine groups of PEI and hydroxyl groups of the cellulosic fiber using ECH crosslinker can be expected to have a broad potential application in dyeing processes or pollution treatments due to its simple, cost‐effective, flexible and efficient method.

Structural Characterisation of Zeolites Derived from Lithium Extraction: Insights into Channel- and Cage-Type Frameworks

This study investigates the structural and adsorption characteristics of channel- and cage-type zeolites obtained through lithium extraction. Through XRD, FT-IR spectroscopy, and adsorption isotherm analyses, distinct adsorption behaviours of CH4 and CO2 were observed in both zeolite types. Cage-type zeolites exhibited higher adsorption capacities attributed to their structural advantages, highlighting the importance of structural framework selection in determining adsorbent efficacy. The presence of structural defects and an amorphous phase influenced adsorption behaviours, while thermodynamic data underscored the role of adsorbate properties. Kinetics studies revealed the influence of the structural framework on CH4 adsorption and CO2 adsorption kinetics. Analysis of adsorbate–adsorbent interactions demonstrated robust interactions, particularly with LPM16-Y. These findings offer insights into the potential applications of zeolites in gas adsorption processes, emphasising the importance of structural properties and adsorbate characteristics in determining adsorption performance.

Utilizing olive leaves biomass as an efficient adsorbent for ciprofloxacin removal: characterization, isotherm, kinetic, and thermodynamic analysis.

Olive leaves were utilized to produce activated biomass for the removal of ciprofloxacin (CIP) from water. The raw biomass (ROLB) was activated with sodium hydroxide, phosphoric acid, and Dead Sea water to create co-precipitated adsorbent (COLB) with improved adsorption performance. The characteristics of the ROLB and COLB were examined using SEM images, BET surface area analyzer, and ATR-FTIR spectroscopy. COLB has a BET surface area of 7.763 m2/g, markedly higher than ROLB's 2.8 m2/g, indicating a substantial increase in adsorption sites. Through investigations on operational parameters, the optimal adsorption efficiency was achieved by COLB is 77.9% within 60min, obtained at pH 6, and CIP concentration of 2mg/mL. Isotherm studies indicated that both Langmuir and Freundlich models fit the adsorption data well for CIP onto ROLB and COLB, with R2 values exceeding 0.95, suggesting effective monolayer and heterogeneous surface adsorption. The Langmuir model revealed maximum adsorption capacities of 636mg/g for ROLB and 1243mg/g for COLB, highlighting COLB's superior adsorption capability attributed to its enhanced surface characteristics post-modification. Kinetic data fitting the pseudo-second-order model with R2 of 0.99 for ROLB and 1 for COLB, along with a higher calculated qe for COLB, suggest its modified surface provides more effective binding sites for CIP, enhancing adsorption capacity. Thermodynamic analysis revealed that the adsorption process is spontaneous (∆Go < 0), and exothermic (∆Ho < 0), and exhibits a decrease in randomness (∆So < 0) as the process progresses. The ΔH° value of 10.6kJ/mol for ROLB signifies physisorption, whereas 35.97kJ/mol for COLB implies that CIP adsorption on COLB occurs through a mixed physicochemical process.

α-Fe2O3 nanorods on CoFe-LDH@MX via interfacial interactions for Congo red removal: Experimental and mechanistic studies

Developing a 3D material to support α-Fe2O3 nanorods to improve their adsorption performance for Congo Red (CR) is a major challenge. Herein, a novel 3D composite adsorbent was designed, where 2D material Ti3C2 MX and CoFe-LDH stacked on top of each other as the support material of α-Fe2O3 nanorods (α-Fe2O3@LDH@MX). The specific surface area of the α-Fe2O3@LDH@MX was increased by 2 times (101.28 m2/g) than original CoFe-LDH@MX, thus more favorable for capturing CR (698.25 mg/g). The results of kinetic studies demonstrate that the effective 3D composite structure enables unhindered movement of CR within the α-Fe2O3@LDH@MX. The Langmuir model can accurately describe the adsorption process of CR on the α-Fe2O3@LDH@MX, which means that the process belongs to monomolecular layer chemisorption. Molecular dynamics simulations revealed that the α-Fe2O3 interface primarily interacts with oxygen within the -SO3 group, achieving an adsorption energy up to Einteraction= −20,375.89 kcal/mol. The results of XPS analysis further revealed that interaction between Fe and O achieved the removal of CR. In this paper, the enhancement of α-Fe2O3 adsorption performance has been successfully achieved through innovative structural design. This significantly advances its potential applications and offers new insights for future material design.

Solvent-free synthesis of defective Zr-based metal–organic framework from waste plastic bottles for highly efficient lomefloxacin removal

Large amount of polyethylene terephthalate (PET) plastics waster and emerging contaminants in water, including fluoroquinolone antibiotics, pose challenges to human survival. In this work, a green synthesis scheme is proposed in which the defective UiO-66 (d-UiO-66) is fabricated via a solvent-free routine by using PET plastics waster as raw materials for lomefloxacin (LOM) removal. In comparison with defect-free UiO-66, the created defect imparts d-UiO-66 with higher porosity and abundant defective Zr sites, which are beneficial to boost LOM adsorption. As expected, d-UiO-66 exhibited excellent LOM adsorption performances, showcasing a saturation adsorption capacity of 588 mg g−1 and a kinetic rate constant of 0.204 g mg−1 h−1, which are 3.5 and 2.0 times higher than those of the pristine UiO-66, respectively. Remarkably, the LOM saturation adsorption capacity of d-UiO-66 surpasses that of all reported adsorbents. Mechanism study reveals that this outstanding adsorption performance of d-UiO-66 is mainly ascribed to the abundant defective sites, high porosity, together with the strong hydrogen bonding interaction and π-π stacking interaction between d-UiO-66 and LOM. Therefore, the d-UiO-66 obtained by the solvent-free method can not only effectively upcycle PET plastic waster, but also efficiently remove LOM, demonstrating a potential routine to simultaneous address the solid PET waster and wastewater.

A Sulfonated Covalent Organic Framework for Atmospheric Water Harvesting.

We report a sulfonated covalent organic framework (COF) capable of atmospheric water harvesting in arid conditions. The isothermal water uptake profile of the framework was studied, and the network displayed steep water sorption at low relative humidity (RH) in temperatures of up to 45 °C, reaching a water uptake of 0.12 g·g-1 at 10% RH and even 0.08 g·g-1 at just 5% RH, representing some of the most extreme conditions on the planet. We found that the inclusion of sulfonate moieties shifted uptake in the water isotherm profiles to lower RH compared to non-sulfonated equivalents, demonstrating well the benefits of including these hydrophilic sites for water uptake in hot arid locations. Repeated uptake and desorption were performed on the network without significant detriment to its adsorption performance, demonstrating the potential of the sulfonated COF for real-world implementation.

Mechanism of targeted adsorption and specific action of bone char on ionic organic pollutants: An analysis based on differences in physicochemical properties

Adsorption is a widely recognized and effective method for treating high-concentration organic industrial wastewater. Bone char (BC) is a promising adsorbent for removing ionic organic pollutants (IOPs) from printing and dyeing wastewater due to its advantageous adsorption properties. To analyze BC's targeted adsorption and specific action mechanism on IOPs, the author first elucidated the physicochemical properties of BC under different preparation conditions. Subsequently, the study compared the targeted adsorption efficacy of BC on various types and molecular structures of IOPs. Through correlation analysis, feature importance analysis, and consideration of the properties of the target substance, the study investigated the targeted adsorption laws of BC for IOPs. Lastly, for substances with specific adsorption characteristics, range analysis, structure–activity relationship analysis, and quantitative analysis of adsorption mechanisms were employed to elucidate the action mechanism of BC. The results indicate that the differences in physicochemical properties (especially CEC and pH) caused by the inorganic mineral components of BC and the number of conjugated double bonds in the molecular structure of IOPs are key factors determining the adsorption effect. Controlling BC's pore structure and electrical conductivity based on the aggregates' conjugated double bonds and particle size can improve adsorption outcomes. The hierarchy of preparation factors influencing the adsorption performance of BC is pyrolysis temperature > particle size > pyrolysis atmosphere. The adsorption of malachite green (MG) by BC primarily involves chemical reactions, including mineral complexation effect (52.38 %), electrostatic interaction (24.76 %), π-π interaction (8.15 %), metal ion exchange (8.12 %), and physical pore filling (6.59 %). It is speculated that the primary interaction mechanism between BC and MG is through cation-π bonds formed between metal cations dissociated from the inorganic mineral components of BC and MG, facilitated by strong electrostatic interaction. The findings offer a theoretical basis for the practical utilization of BC in adsorbing IOPs.

Fabrication of Monodisperse Magnetic Polystyrene Mesoporous Composite Microspheres for High-Efficiency Selective Adsorption and Rapid Separation of Cationic Dyes in Textile Industry Wastewater.

Sustainable development has become an inevitable trend in the world's green chemical industry for a generation or more. In this study, a monodisperse magnetic polystyrene mesoporous composite microsphere (MPPS) composed of Fe3O4 nanoparticles loaded on polystyrene mesoporous microspheres is introduced. These microspheres serve as effective adsorbents for the swift removal of cationic dyes. The fabrication of the wastewater adsorbent, with its simple operation and economic practicality, involved a combination of dispersion polymerization, a sulfonation reaction, two-step swelling polymerization, and in situ alkaline oxidation technology. Notably, the adsorption capacity within 3 min reaches 184.0 mg/g, with an impressive adsorption efficiency of 92%. This is primarily attributed to the high specific surface area (Smax) of the MPPS providing more reaction sites for π-π interaction. Simultaneously, the attractive force between negatively charged sulfonic acid groups and cationic dyes is enhanced through surface modification of the MPPS. Furthermore, the MPPS, boasting a maximum saturation magnetization of 38.19 emu/g, ensures rapid separation from the solution for recycling within 3 s. Even after 5 cycles, the adsorption efficiency remains over 90%. The rapid separation of dyes is facilitated by the magnetic attraction of Fe3O4 nanoparticles from the MPPS under the application of a magnetic field. These composite mesoporous materials exhibit outstanding performance in both efficient selective adsorption and recyclability, presenting a novel green adsorbent with promising prospects for sustainable development. This innovation is poised to excel in fields such as sewage treatment, separation, and purification.

Synthesis of activated carbon from waste polyester fabric activated by ZnCl2 and its adsorption for organic dyes

In order to achieve the resource utilization of waste polyester (WPT), the WPT based activated carbon (WPT-AC) was prepared by ZnCl2 activation high-temperature pyrolysis method. The phase morphology, characteristic groups, pore structure of specific surface area and microstructure were characterized by TGA, XRD, FTIR, BET and SEM. The optimum preparation process of WPT-AC was determined by L9(34) orthogonal experiment, and the adsorption performance of WPT-AC for methylene blue (MB) was evaluated. WPT-AC showed a high specific surface area of 1037.62 m2/g, with rich pore structure, which provided the possibility for efficient adsorption. The pretreatment of ZnCl2 plays a key role in the formation of WPT-AC pore structure, and the abundant pore structure is conducive to improving the adsorption of pollutants. WPT-AC showed excellent performance in the field of organic dye adsorption, and the highest removal rate of MB reached 97.34%. The adsorption was mainly related to electrostatic attraction, hydrogen bonding and π–π conjugation. The analysis of adsorption kinetics and thermodynamics is conducive to a better understanding of the adsorption process.

Hydrogen Adsorption on Type-5 Penta-MgN8 Sheet, Nanotube, and 3D Porous Structure.

Motivated by the recent report on penta-MgN8 sheet [Mater. Today Phys. 2023, 38, 101259] that is the first realization of type-5 pentagonal 2D tessellation with exposed regularly distributed Mg ions, we carried out density functional theory studies on the interactions of H2 molecules with 1D penta-nanotube, 2D penta-sheet, and 3D porous structures based on penta-MgN8. We found that when the penta-MgN8 sheet is assembled to a 3D porous structure or curved to a nanotube, the bandgap increases from 1.18 to 1.35 and 1.88 eV, and the resulting derivatives are stable dynamically. When H2 molecules are introduced, the nanotube behaves best in adsorption, where each Mg ion can adsorb three H2 molecules: two on the outer surface and one on the inner surface. The curved geometry of the nanotube makes the Mg ion on the outer surface more exposed as compared with the situations of the 2D sheet and 3D porous structure, resulting in stronger adsorptions to H2. The gravimetric capacity (volumetric capacity) is 4.25 wt % (63 g/L) and 4.25 wt % (65 g/L) for the studied penta-sheet and penta-nanotube, and the corresponding desorption temperature is 115 and 162 K at 1 atm pressure, respectively, while for the 3D porous structure, the adsorption performance is poor due to the limited space and the less curvature, leading to strong steric hindrance and less exposed configuration for Mg ions. Moreover, the effects of temperature and pressure on adsorption are also discussed.

Prediction of adsorption performance of ZIF-67 for malachite green based on artificial neural network using L-BFGS algorithm

Given the necessity and urgency in removing organic pollutants such as malachite green (MG) from the environment, it is vital to screen high-capacity adsorbents using artificial neural network (ANN) methods quickly and accurately. In this study, a series of ZIF-67 were synthesized, which adsorption properties for organic pollutants, especially MG, were systematically evaluated and determined as 241.720 mg g−1 (25 ℃, 2 h). The adsorption process was more consistent with pseudo-second-order kinetics and Langmuir adsorption isotherm, which correlation coefficients were 0.995 and 0.997, respectively. The chemisorption mechanism was considered to be π-π stacking interaction between imidazole and aromatic ring. Then, a Python-based neural network model using the Limited-memory BFGS algorithm was constructed by collecting the crucial structural parameters of ZIF-67 and the experimental data of batch adsorption. The model, optimized extensively, outperformed similar Matlab-based ANN with a coefficient of determination of 0.9882 and mean square error of 0.0009 in predicting ZIF-67 adsorption of MG. Furthermore, the model demonstrated a good generalization ability in the predictive training of other organic pollutants. In brief, ANN was successfully separated from the Matlab platform, providing a robust framework for high-precision prediction of organic pollutants and guiding the synthesis of adsorbents.

One‐Step Synthesis of Thiol‐Functional Mesoporous Silica Nanospheres and Selective Removal of Cationic Dyes

AbstractThe surface characteristics of nanoparticles have a huge impact on adsorption effects. In this paper, thiol‐functional mesoporous silica nanospheres (MSNs−SH) are successfully prepared through simple one‐step hydrolysis and co‐condensation of tetraethyl orthosilicate and (3‐mercaptopropyl) triethoxysilane with hexadecyltrimethylammonium bromide and sulfobetaine 12 as dual‐template. The obtained MSNs−SH have high surface area (1260 m2 g−1), accessible mesopores (2.2 nm), great pore volume (1.7 cm3 g−1), and uniform adjustable diameter (90 nm). Furthermore, the diameter and pore‐size of MSNs−SH can be controlled via adjusting the ethanol content in the synthesis system. MSNs−SH exhibit a fast adsorption kinetics, marked adsorption capacity of cationic rhodamine B (RB 534.2 mg g−1), and remarkable selective adsorption for cationic dyes. Theoretical analysis reveals the adsorption behavior of RB on MSNs−SH follows the Langmuir isotherm models and pseudo‐second‐order kinetic. Additionally, the thermodynamic results indicate that the adsorption process is a spontaneous process driven by temperature. The results demonstrate that MSNs−SH are greatly potential for effectively removing cationic dyes from wastewater, with the advantages of simple preparation, high adsorption performance and perfect selectivity.

Effect of Physico-Chemical Properties Induced by N, P Co-Doped Biomass Porous Carbon on Nitrous Oxide Adsorption Performance

The adsorption and enrichment of greenhouse gases on biomass porous carbon is a promising approach. Herein, a simple type of nitrogen and phosphorus co-doped biomass porous carbon (NPPC), which was derived from fast-growing eucalyptus bark, was reported via one-step method of carbonization and activation, and the nitrous oxide (N2O) adsorption performance and the adsorption mechanism of the NPPCs were also investigated. The results showed that NPPC-800-2 demonstrated a high specific surface area (1038.48 m2∙g−1), abundant micropores (0.31 cm3∙g−1), and enriched content of N and P (4.17 wt.% and 0.62 wt.%), which also exhibited a high N2O adsorption capacity of 0.839 mmol∙g−1. Moreover, the addition of N enhanced the surface polarity of carbon, thereby altering its pore structure. And P doping induced changes in the structural orientation of carbon, resulting in an increased presence of N-P functional groups. This finding reveals that the eucalyptus bark-based N and P co-doped porous carbon shows great potential for wide applications in N2O capture and provides effective guidance for the design and development of waste biomass adsorbent.

Constructing Single-Atom Active Sites Embedded in Hexagonal Boron Nitride for Adsorption and Sensing of Lithium Battery Thermal Runaway Gases.

The utilization and selectivity of single atoms have garnered significant attention among researchers. However, they are easy to agglomerate because of their high surface energy. To overcome this challenge, it is crucial to seek suitable carriers to anchor single metal atoms to achieve optimal performance. In this work, the structures of transition metal single atoms embedded in hexagonal boron nitride (MB2N2, M = Fe, Co, Ni, Cu, Zn) are constructed and used for the adsorption and sensing of lithium battery thermal runaway gases (H2, CO, CO2, CH4) through the DFT method. The adsorption behavior of MB2N2 was evaluated through the adsorption energy, sensitivity, and recovery time. The calculation results indicate that CoB2N2 exhibits strong adsorption capacity for both H2 and CO. The sensitivity of FeB2N2 toward CO is as high as 3.232 × 1016. Subsequently, the adsorption mechanism was studied through TDOS and PDOS, and the results showed that hybridization between orbitals enhanced the gas adsorption performance. This study presents novel approaches for designing single-atom carriers and developing MB2N2 sensors for detecting lithium battery thermal runaway gases.