Efficient Materials Research Articles

CsPbBr3 Perovskite Crack Platelet Nanocrystals and Their Biexciton Generation.

Lead halide perovskite nanocrystals have been extensively studied in recent years as efficient optical materials for their bright and color-tunable emissions. However, these are mostly confined to their 3D nanocrystals and limited to the anisotropic nanostructures. By exploring the Cs-sublattice-induced metal(II) ion exchange with Pb(II), crack CsPbBr3 perovskite platelet nanocrystals having polar surfaces in all three directions are reported here, which remained different than reported standard square platelets. The crack platelets are also passivated with halides to enhance their brightness. Further, as these crack and passivated crack platelets have defects and polar surfaces, the exciton and biexciton generation in these platelets is investigated using femtosecond photoluminescence and transient absorption measurement at ambient as well as cryogenic temperatures, correlated with time-resolved single-particle photoluminescence spectroscopy, and compared with standard square platelets having nonpolar facets. These investigations revealed that the crack platelets and passivated crack platelets possess enhanced biexciton emission compared to square platelets due to the presence of polar surfaces in all three directions. These results provide insights into not only the design of the anisotropic nanostructures of ionic nanocrystals but also the possibility of tuning the single exciton to biexciton generation efficiency, which has potential applications in optoelectronic systems.

Naphthalene Diimide-Modified SnO2 Enabling Low-Temperature Processing for Efficient ITO-Free Flexible Perovskite Solar Cells.

A low-cost and indium-tin-oxide (ITO)-free electrode-based flexible perovskite solar cell (PSC) that can be fabricated by roll-to-roll processing shall be developed for successful commercialization. High processing temperatures present a challenge for the PSC fabrication on flexible substrates. The most efficient planar n-i-p PSC structures, which utilize a metal oxide as an electron transport layer (ETL), necessitate high annealing temperatures. In addition, the device performance deteriorates owing to the migration of halogen ions, which causes the oxidation of the metal electrodes. These drawbacks conflict with the development of highly efficient flexible PSCs fabricated on ITO-free transparent electrodes. Herein, an efficient ETL material that enables low-temperature processing is presented. Tin dioxide (SnO2) is modified by (sulfobetaine-N,N-dimethylamino)propyl naphthalene diimide (NDI-B) and used as an ETL. The NDI-B effectively reduces the interfacial nonradiative recombination between the ETL and perovskite and suppresses the ion migration by passivating oxygen-vacancy defects in SnO2 and strongly interacting with halogen ions, respectively. Based on the NDI-B-blended SnO2 ETL, a record PCE of 17.48% is achieved in the ITO-free flexible PSC fabricated at low temperature.

Enhanced Photocatalytic Activity of Ag/ZnO Nanocomposite Immobilized on Kanthal Coils

Abstract Constructing hybrid semiconductor photocatalysts and increasing the charge-carrier density are effective strategies for enhancing the photocatalytic performance of ZnO. This study elucidates the synergistic effects of electron trapping and surface plasmon resonance (SPR) on the activity of ZnO photocatalysts. Ag/ZnO nanocomposites were synthesized on Kanthal coils using a two-step method involving the immobilization of ZnO on Kanthal coils and the coupling of Ag nanoparticles. XPS and RTPL analyses verified the synergistic effects of electron trapping and SPR on the activity of the Ag/ZnO nanocomposites. The photocatalytic performance of the composite was evaluated in the degradation of rhodamine B (RhB) dye. The Ag/ZnO nanocomposite exhibited significantly enhanced removal efficiency for RhB dye (38.2‒70.5% depending on the deposition time). The Ohmic contact at the Ag/ZnO heterojunction extended the lifetime of the photoinduced charge carriers, whereas the SPR facilitated the generation of more electrons for the photocatalytic reaction. However, the excessive deposition of Ag nanoparticles compromised the photocatalytic performance of the Ag/ZnO nanocomposite. This study provides valuable insights for developing efficient ZnO-based photocatalytic materials for addressing environmental challenges.

Metal-Catalyzed Carbon Foams Synthesized from Glucose as Highly Efficient Electromagnetic Absorbers

This paper introduces a novel method for preparing high-performance, metal-containing carbon foam wave-absorbing materials. The process involves foaming glucose through catalysis by transition metals followed by high-temperature pyrolysis. The resulting carbon foam materials exhibit a highly porous structure, which is essential for their wave-absorption properties. Notably, at a thickness of 2.0 mm, the glucose-derived carbon foam composite catalyzed by Fe and Co (GCF-CoFe) achieved a minimum reflection loss (RLmin) of −51.4 dB at 15.11 GHz, along with an effective absorption bandwidth (EAB) of 5.20 GHz, spanning from 12.80 GHz to 18.00 GHz. These impressive performance metrics indicate that this approach offers a promising pathway for developing low-density, efficient carbon foam materials for wave-absorption applications. This advancement has significant implications for fields requiring effective electromagnetic interference (EMI) shielding, stealth technology, and other related applications, potentially leading to more efficient and lightweight solutions.

Chemical effect of alkaline-earth metals (Be, Mg, Ca) substitution of BFe2XH hydride perovskites for applications as hydrogen storage materials: A DFT perspective

This study investigated the effect of alkaline-earth metals (X = Be, Mg, Ca) substitution of BFe2XH perovskite materials and the potential applications for hydrogen storage utilizing density functional theory (DFT) approach at the GGA-PBE and the HSE06 methods. The mechanical properties of the studied systems demonstrate the mechanical stability of BFe2MgH, making it the most mechanically robust compound. While the Pugh ratio suggests that BFe2BeH was brittle, while BFe2CaH showed greater ductility, anisotropic factors confirm that all compounds are anisotropic, indicating directional dependence in their properties. The electronic band structure analysis using the HSE06 and the GGA-PBE suggests that the studied perovskites are metallic due to a calculated bandgap of zero. In terms of optical/optoelectronic properties, BFe2MgH exhibits the highest optical conductivity, absorption coefficient, and energy loss function, indicating its superior ability to absorb light and transfer electrons. For practical applications, the hydrogen storage capacity is assessed, with BFe2BeH showing the highest gravimetric and volumetric capacities. These promising results suggest the potential use of BFe2BeH as an efficient material for hydrogen storage.

In-situ growth of novel iron oxide/iron organic framework composites as efficient electroactive materials of battery supercapacitor hybrids

Iron oxide (Fe2O3) with a high theoretical capacitance, wide potential ranges and easy availability has attracted much attentions as the electrode material of battery supercapacitor hybrids (BSH). Metal–organic framework (MOF) is one of the promising potential energy storage materials due to its large surface area and controllable pore structures. In this work, novel iron oxide/iron organic framework composites (Fe2O3/FeMOF) are in-situ grown on the Ni foam as efficient energy storage electrodes of BSH. By tuning the solvothermal durations, the morphology changes from random sizes of sheets, regular grown vertical sheets, to flower-like structures. The d-spacing also increases for the Fe2O3/FeMOF synthesized using longer solvothermal durations. The optimal Fe2O3/FeMOF electrode synthesized using 9 h shows a high areal capacitance of 10.97 F/cm2 along with an areal capacity of 5.49 F/cm2 at the current density of 35 mA/cm2, owing to the most regular growth of sheets, the large d-spacing, and the smallest charge-transfer resistances. A BSH composed of the Fe2O3/FeMOF positive electrode and a graphene negative electrode shows a maximum energy density of 0.76 mWh/cm2 at 22.5 mW/cm2. The excellent long-term cycling stability with the capacitance retention of 85% and Coulombic efficiency of 98% are also achieved after 10,000 charge/discharge cycles.

Hierarchical nanostructured Co0.5Mn0.5WO4 efficient electrode material for asymmetric supercapacitor application

BackgroundThis research focuses on the electrochemical characteristics of binary metal tungstates for asymmetric supercapacitor applications. Metal tungstates such as Cobalt tungstate (CoWO4) and Manganese tungstate (MnWO4) exhibit excellent electrical conductivity and redox characteristics. Different combinations of binary metal tungstates can serve as effective electrode materials for supercapacitor applications. MethodHerein, Co0.5Mn0.5WO4 nanoparticles was synthesized by the co-precipitation method followed by calcination. The prepared nanoparticles was used as an electrode material for the supercapacitor application. For study the two electrode system, Co0.5Mn0.5WO4 and activated carbon were worked as anode and cathode electrode, respectively. Significant findingsThe prepared electrode materials exhibit a battery type pusudocapacitance in cyclic voltammetry (CV). The charging and discharging properties of the material was analysed by galvanic charging and discharging (GCD) studies and it displays the specific capacitance value of 444 F/g at the current density of 1 A/g and it shows the specific capacitance retention of 91% after 1500 cycles. AC//Co0.5Mn0.5WO4 ASC device shows good energy density, power density and specific capacitance values of 30.5 Wh/Kg, 2800 W/Kg and 112 F/g at 1 A/g current density, respectively.

2,3-pyridinedicarboxylic acid-modified MIL-88A(Fe) for enhanced peroxymonosulfate activation to degrade organic contaminants

Metal-organic framework (MOF)-based composites have shown a great application potential in photoassisted persulfate activation process and environmental remediation. Herein, 2,3-pyridinedicarboxylic acid (PDA) is firstly used to improve the catalytic activity of MIL-88A(Fe). The composite catalysts are effectively synthesized using a solvothermal method. At an 80.2 mg modification level of PDA, the catalyst [MIL-88A(Fe)-PDA-3] could achieve 98.20 % removal of AR18 (acid red 18) through the visible-light-assisted peroxymonosulfate (PMS) activation. It is 7.8-fold increase than pristine MIL-88A(Fe). The suitable conditions for AR18 elimination are 0.4 g/L MIL-88A(Fe)-PDA-3, 1.5 mM PMS and pH = 10. The interplay between influencing factors is explored by a response surface methodology. The quenching studies and EPR tests indicate the generation of active species such as ·OH, SO4·−, 1O2, O2·−, and FeIVO in the reaction system, with ·OH playing a significant role for AR18 degradation. A potential mechanism is proposed based on the above results. This study offers a fresh perspective for the development of efficient MOFs materials.

Spray-Coated Transition Metal Dichalcogenides as Hole Transport Layers in Inverted NFA-Based Organic Photovoltaics with Enhanced Stability under Solar and Artificial Light

In this study, we explored the potential of exfoliated transition metal dichalcogenides (TMDs) as innovative spray-coated hole transport layers (HTLs) in organic photovoltaics (OPVs), addressing the need for efficient and stable materials in solar cell technology. This research was motivated by the need for alternative HTLs that can offer enhanced performance under varying lighting conditions, particularly in indoor environments. Employing UV-visible absorption and Raman spectroscopy, we characterized the optical properties of MoS2, MoSe2, WS2, and WSe2, confirming their distinct excitonic transitions and direct bandgap features. The nanocrystalline nature of these TMDs, revealed through XRD patterns and crystallite size estimation using the Scherrer method, significantly contributes to their enhanced physical properties and operational efficiency as HTLs in OPVs. These TMDs were then integrated into OPV devices and evaluated under standard solar and indoor lighting conditions, to assess their effectiveness as HTLs. The results demonstrated that MoS2, in particular, displayed remarkable performance, rivalling traditional HTL materials like MoO3. It maintained high power conversion efficiency across a spectrum of light intensities, illustrating its versatility for both outdoor and indoor applications. Additionally, MoS2 showed superior stability over extended periods, suggesting its potential for long-term usage in OPVs. This study contributes significantly to the field of photovoltaic materials, presenting TMDs, especially MoS2, as promising candidates for efficient and stable OPVs in diverse lighting conditions, thereby broadening the scope of solar cell applications.

Extremely enhanced friction and wear performance of hydrogen-free DLC film at elevated temperatures via Si doping

Hydrogen-free diamond-like carbon (DLC) films have garnered significant attention as a highly efficient solid lubrication material, but poor high-temperature lubrication and wear resistance limit their further application. Here, silicon-doped DLC (Si-DLC) films with different Si contents were deposited using a superimposed HiPIMS-DCMS deposition system to improve their high-temperature lubrication and wear resistance performance. The influence of Si content on the microstructure, mechanical and high-temperature friction and wear behavior of Si-DLC films was investigated. The results showed that Si-DLC films had a dense structure and nanoscale smooth surface. The Si doping enhanced the adhesion strength and relieved the residual stress of Si-DLC films, but decreased the hardness and Young's modulus. Meanwhile, Raman and XPS spectroscopy revealed significant local structural changes in Si-doped DLC films. Furthermore, the results showed that DLC films doped with low Si content displayed excellent tribological performance at elevated temperatures due to the graphite lubricating layer on the surface of wear marks. Specifically, Si-DLC film with 3.31 at% Si had an ultra-low average friction coefficient of 0.04 at 450 °C and still provided effective lubrication at temperatures up to 500 °C. In contrast, pure DLC film failed to lubricate at 450 °C due to the severe graphitization transition and Si-DLC film with 17.47 at% Si quickly failed to lubricate at 200 °C due to the SiC and SiO2. This work sheds light for the high-temperature application of DLC films doped with low Si content by superimposed HiPIMS-DCMS deposition system.

Recent Advances in the Application of Metal–Organic Frameworks and Coordination Polymers in Electrochemical Biosensors

Electrochemical biosensors are critical in advancing biomedical and pharmaceutical therapies because of their adaptability and cost-effectiveness. Voltammetric and amperometric sensors are of particular interest. These sensors typically consist of a specialized tip or biorecognition element and a transducer that converts biological data into readable signals. Efficient biosensor materials are essential for addressing health emergencies, with coordination polymers (CPs) and metal–organic frameworks (MOFs) showing promise. Functionalization strategies are necessary to enhance the usability of pristine MOFs, owing to issues such as low conductivity. The integration of conductive polymers with MOFs has resulted in the development of highly efficient biosensors. Both enzymatic and nonenzymatic biosensors are used for analyte detection; nonenzymatic approaches are gaining popularity owing to their durability and accuracy. MOFs and CPs have been applied in sensitive electrochemical biosensors to detect fatal brain tumors such as glioblastomas (GBM). These biosensors demonstrate enhanced selectivity and sensitivity, highlighting the potential of MOFs and CPs in advancing electrochemical biosensor technology for both in vivo and in vitro applications.

Machine learning assisted designing of polymers and refractive index prediction: Easy and fast screening of polymers from chemical space

For the selection of efficient materials capable of optical applicability, the property of refractive index (RI) of the material is considered extremely significant. Acquisition of RI values via empirical framework is difficult and prolonged task. Consequently, data-driven method provides a rapid alternative for estimating RI values. This study presents a fast framework that is based on machine learning (ML) approach to design novel polymers capable of performing in optical applications. The framework involves training of ML models to predict the RI values of polymers. Subsequently, 10,000 new polymers were generated utilizing the Breaking Retrosynthetically Interesting Chemical Substructures (BRICS) methodology and fast ML model is used to predict the RI values of newly generated polymers. Polymers exhibiting higher RI values were retained. The synthetic accessibility of these selected polymers was also assessed in order to facilitate the future empirical measurements. Furthermore, chemical similarity among the chosen polymers was also investigated and structural diversity was revealed among the selected polymers. This study is introducing fast and easy framework for the designing and screening of efficient materials. This framework can be modified to study other materials and properties.

Mechanism of increasing the efficiency of functioning of raw material zones of agroindustrial production

The paper presents the results of the analysis of the main organisational and economic models of functioning of raw material zones of agroindustrial production, identifies key features, advantages in the current conditions of the Republic of Belarus and the tasks of improving the current mechanism. The criteria of formation (maximum provision of demand for agricultural raw materials with regard to the optimal utilisation of production capacities and target parameters of food security; increasing the comparative efficiency of agricultural raw materials production in terms of yield (productivity), unit production cost and quality; building up added value within the product chain, etc.) and principles of functioning of highly efficient raw material zones (strategic partnership; increasing competitiveness of agricultural raw material zones) are substantiated.

Preparation and Immobilization Mechanism of Red Mud/Steel Slag-Based Geopolymers for Solidifying/Stabilizing Pb-Contaminated Soil

Pb-contaminated soil poses serious hazards to humans and ecosystems and is in urgent need of remediation. However, the extensive use of traditional curing materials such as ordinary Portland cement (OPC) has negatively impacted global ecology and the climate, so there is a need to explore low-carbon and efficient green cementitious materials for the immobilization of Pb-contaminated soils. A red mud/steel slag-based (RM/SS) geopolymer was designed and the potential use of solidifying/stabilizing heavy metal Pb pollution was studied. The Box–Behnken design (BBD) model was used to design the response surface, and the optimal preparation conditions of RM/SS geopolymer (RSGP) were predicted by software of Design-Expert 8.0.6.1. The microstructure and phase composition of RSGP were studied by X-ray diffractometer, Fourier transform infrared spectrometer, scanning electron microscopy and X-ray photoelectron spectroscopy, and the immobilization mechanism of RSGP to Pb was revealed. The results showed that when the liquid–solid ratio is 0.76, the mass fraction of RM is 79.82% and the modulus of alkali activator is 1.21, the maximum unconfined compressive strength (UCS) of the solidified soil sample is 3.42 MPa and the immobilization efficiency of Pb is 71.95%. The main hydration products of RSGP are calcium aluminum silicate hydrate, calcium silicate hydrate and nekoite, which can fill the cracks in the soil, form dense structures and enhance the UCS of the solidified soil. Pb is mainly removed by lattice immobilization, that is, Pb participates in geopolymerization by replacing Na and Ca to form Si-O-Pb or Al-O-Pb. The remaining part of Pb is physically wrapped in geopolymer and forms Pb(OH)2 precipitate in a high-alkali environment.

Preparation and Immobilization Mechanism of Red Mud/Steel Slag-Based Geopolymers for Solidifying/Stabilizing Pb-Contaminated Soil.

Pb-contaminated soil poses serious hazards to humans and ecosystems and is in urgent need of remediation. However, the extensive use of traditional curing materials such as ordinary Portland cement (OPC) has negatively impacted global ecology and the climate, so there is a need to explore low-carbon and efficient green cementitious materials for the immobilization of Pb-contaminated soils. A red mud/steel slag-based (RM/SS) geopolymer was designed and the potential use of solidifying/stabilizing heavy metal Pb pollution was studied. The Box-Behnken design (BBD) model was used to design the response surface, and the optimal preparation conditions of RM/SS geopolymer (RSGP) were predicted by software of Design-Expert 8.0.6.1. The microstructure and phase composition of RSGP were studied by X-ray diffractometer, Fourier transform infrared spectrometer, scanning electron microscopy and X-ray photoelectron spectroscopy, and the immobilization mechanism of RSGP to Pb was revealed. The results showed that when the liquid-solid ratio is 0.76, the mass fraction of RM is 79.82% and the modulus of alkali activator is 1.21, the maximum unconfined compressive strength (UCS) of the solidified soil sample is 3.42 MPa and the immobilization efficiency of Pb is 71.95%. The main hydration products of RSGP are calcium aluminum silicate hydrate, calcium silicate hydrate and nekoite, which can fill the cracks in the soil, form dense structures and enhance the UCS of the solidified soil. Pb is mainly removed by lattice immobilization, that is, Pb participates in geopolymerization by replacing Na and Ca to form Si-O-Pb or Al-O-Pb. The remaining part of Pb is physically wrapped in geopolymer and forms Pb(OH)2 precipitate in a high-alkali environment.

Integrating physical knowledge and artificial intelligence approaches for simulation and optimization of direct urea fuel cell

Direct urea fuel cell (DUFC) has recently gained attention as a potentially effective fuel cell because of urea’s ease of use, low-cost, high-energy density, and toxicity-free nature. To develop a fast and accurate mathematical tool to model and optimize the performance of DUFC, this study, for the first time, combined the kinetic model and artificial intelligence approaches. Accordingly, an artificial neural network (ANN) model was developed based on the synthetic datasets produced from the verified kinetic model and then was optimized by particle swarm optimization to determine the optimal conditions for DUFC. The peak power density output and substrate-based energy recovery were chosen as the target functions that depend on several fundamental operating and designing parameters (i.e., types of catholyte, membrane thickness, diffusion layer thickness and porosity, feeding flow rate, temperature, urea and KOH concentrations). Along with significantly reducing the computational simulation time to the kinetic model (from 1500 s to 2 s), the proposed approach exhibited superior accuracy compared to the response surface methodology. With nickel nanoparticles as the anode catalyst material and pure oxygen as the catholyte, the highest power density output and energy recovery from DUFC were predicted at 15.1 mW/cm2 and 19.6 %, respectively. On the other hand, with the natural air supply, the optimal power density and energy recovery values were only 14.4 mW/cm2 and 18.9 %, respectively, due to lower oxygen concentration. These poor performances suggest that more efficient catalyst materials for DUFC need to be further investigated and applied.

Surface photogalvanic effect in Ag2Te

The bulk photovoltaic effect (BPVE) in non-centrosymmetric materials has attracted significant attention in recent years due to its potential to surpass the Shockley-Queisser limit. Although these materials are strictly constrained by symmetry, progress has been made in artificially reducing symmetry to stimulate BPVE in wider systems. However, the complexity of these techniques has hindered their practical implementation. In this study, we demonstrate a large intrinsic photocurrent response in centrosymmetric topological insulator Ag2Te, attributed to the surface photogalvanic effect (SPGE), which is induced by symmetry reduction of the surface. Through diverse spatially-resolved measurements on specially designed devices, we directly observe that SPGE in Ag2Te arises from the difference between two opposite photocurrent flows generated from the top and bottom surfaces. Acting as an efficient SPGE material, Ag2Te demonstrates robust performance across a wide spectral range from visible to mid-infrared, making it promising for applications in solar cells and mid-infrared detectors. More importantly, SPGE generated on low-symmetric surfaces can potentially be found in various systems, thereby inspiring a broader range of choices for photovoltaic materials.

Realizing Efficient Activity and High Conductivity of Perovskite Symmetrical Electrode by Vanadium Doping for CO2 Electrolysis.

Solid oxide electrolysis cells (SOECs) show significant promise in converting CO2 to valuable fuels and chemicals, yet exploiting efficient electrode materials poses a great challenge. Perovskite oxides, known for their stability as SOEC electrodes, require improvements in electrocatalytic activity and conductivity. Herein, vanadium(V) cation is newly introduced into the B-site of Sr2Fe1.5Mo0.5O6-δ perovskite to promote its electrochemical performance. The substitution of variable valence V5+ for Mo6+ along with the creation of oxygen vacancies contribute to improved electronic conductivity and enhanced electrocatalytic activity for CO2 reduction. Notably, the Sr2Fe1.5Mo0.4V0.1O6-δ based symmetrical SOEC achieves a current density of 1.56 A cm-2 at 1.5 V and 800 °C, maintaining outstanding durability over 300 h. Theoretical analysis unveils that V-doping facilitates the formation of oxygen vacancies, resulting in high intrinsic electrocatalytic activity for CO2 reduction. These findings present a viable and facile strategy for advancing electrocatalysts in CO2 conversion technologies.

Rhei Undulati Rhizoma attenuates memory decline and reduces amyloid-β induced neuritic dystrophy in 5xFAD mouse

BackgroundAlzheimer's disease (AD) is a common type of dementia characterized by amyloid-β (Aβ) accumulation, lysosomal dysfunction, and tau hyperphosphorylation, leading to neurite dystrophy and memory loss. This study aimed to investigate whether Rhei Undulati Rhizoma (RUR), which has been reported to have anti-neuroinflammatory effect, attenuates Aβ-induced memory impairment, neuritic dystrophy, and tau hyperphosphorylation, and to reveal its mode of action.MethodsFive-month-old 5xFAD mice received RUR (50 mg/kg) orally for 2 months. The Y-maze test was used to assess working memory. After behavioral testing, brain tissue was analyzed using thioflavin S staining, western blotting, and immunofluorescence staining to investigate the mode of action of RUR. To confirm whether RUR directly reduces Aβ aggregation, a thioflavin T assay and dot blot were performed after incubating Aβ with RUR.ResultsRUR administration attenuated the Aβ-induced memory impairment in 5xFAD mice. Furthermore, decreased accumulation of Aβ was observed in the hippocampus of the RUR-treated 5xFAD group compare to the vehicle-treated 5xFAD group. Moreover, RUR reduced the dystrophic neurites (DNs) that accumulate impaired endolysosomal organelles around Aβ. In particular, RUR treatment downregulated the expression of β-site amyloid precursor protein cleaving enzyme 1 and the hyperphosphorylation of tau within DNs. Additionally, RUR directly suppressed the aggregation of Aβ, and eliminated Aβ oligomers in vitro.ConclusionsThis study showed that RUR could attenuate Aβ-induced pathology and directly regulate the aggregation of Aβ. These results suggest that RUR could be an efficient material for AD treatment through Aβ regulation.Graphical

Study on dynamic characteristics of anionic surfactants containing ethoxy groups wetting bituminous coal

Coal dust restricts coal mine safety and green production. Wet dust removal is widely used in coal mining, processing and transportation. High-efficiency dust suppressants help control coal dust and improve the working environment. The wetting behaviors of dust suppression droplets on coal affect the dust reduction efficiency. In order to select high-quality and efficient water-based materials, four ethoxy-containing surfactants with similar structures, fatty alcohol ether sulfate (AES), lauryl alcohol sulfosuccinate disodium (MES), fatty acid methyl ester ethoxylates (FMEE) and fatty acid methyl esters ethoxylate sodium sulfonate (FMES), are selected to prepare solutions with different concentrations. Through the droplet impact wetting experimental system, the dimensionless spreading coefficient of droplets is compared. The results show that the spreading behavior of the four surfactant-containing droplets is better than that of distilled water droplets, and the maximum dimensionless spreading coefficient follows the rule of AES > MES > FMES > FMEE >distilled water. The maximum dimensionless spreading coefficient of the droplet first increases sharply with the increase of the concentration, and then increases slowly when the concentration reaches the critical micelle concentration (CMC). The adsorption configuration of water-surfactant-coal system is simulated by molecular dynamics (MD) simulation. The relative concentration distribution of each component and the mean square displacement (MSD) of water molecules are analyzed. The interaction energy of the system is calculated. The simulation results verified the effectiveness of the impact wetting experiment results.