Aluminum-air batteries(AABs)are considered the most promising candidates in advanced clean energy conversion and storage due to their low density,high specific energy,and abundant aluminum resources;however,the develo...Aluminum-air batteries(AABs)are considered the most promising candidates in advanced clean energy conversion and storage due to their low density,high specific energy,and abundant aluminum resources;however,the development of AABs is constrained by inevitable parasitic side reactions and anodic surface passivation film formation.The present work introduced an innovative hybrid corrosion inhibitor consisting of potassium stannate,decyl glucoside,and 1,10-decanedithiol to regulate solid-liquid interface reactions in alkaline AABs.The findings indicated that the optimal hybrid corrosion inhibitor could reduce the hydrogen evolution rate from 0.2095 to 0.0406 mL cm^(-2)min^(-1),achieving an inhibition efficiency of 80.62%.The surface analysis discussed in detail the evolution process of the solid-liquid interface after the introduction of the hybrid corrosion inhibitor into the battery.Experiments and theoretical calculations revealed that decyl glucoside enhanced the adsorption and coverage efficiency of the hybrid corrosion inhibitor through the“micelle solubilization”effect and optimized the structure and properties of the solid-liquid interface.This study also contributed valuable insights into the corrosion inhibition mechanism at the solid-liquid interface of alkaline AABs.展开更多
The large-scale commercialization of proton exchange membrane fuel cells(PEMFCs)has been hindered by the high demand of platinum(Pt)in the cathode due to the sluggish kinetics of the oxygen reduction reaction.Reducing...The large-scale commercialization of proton exchange membrane fuel cells(PEMFCs)has been hindered by the high demand of platinum(Pt)in the cathode due to the sluggish kinetics of the oxygen reduction reaction.Reducing the amount of Pt would worsen the problems caused by the adsorption of perfluorinated sulfonic acid(PFSA)ionomers to Pt via the side chains,namely,blocking the active sites of Pt and inducing densely packed layers of fluorocarbon backbones on Pt surface to obstruct local O_(2)transport at the Pt/PFSA interfaces.This work aims at optimizing the Pt/ionomer interface to mitigate the sulfonate adsorption and in the meantime to reduce the local O_(2)transport resistance(R_(local)),by using a porous composite of 1-butyl-3-methylimidazolium hydrogen sulfate ionic liquid(IL)modified MOF-808(BMImHSO_(4)@MOF-808)as additive in cathodic catalyst layer(CCL).Through detailed physical,spectroscopic and electrochemical characterizations,we demonstrate a three-fold optimization mechanism of Pt/ionomer interface structure by BMImHSO_(4)@MOF-808:the unsaturated metal sites in MOF-808 effectively inhibit the sulfonate adsorption on Pt through coordination with the sulfonates of PFSA,thereby improving catalyst utilization;the pores in MOF-808 establish efficient transport channels for gaseous oxygen,significantly reducing R_(local);the IL modification layers facilitate the formation of continuous proton transport networks,increasing proton conductivity.The incorporation of BMImHSO_(4)@MOF-808 in a low-Pt CCL(0.1 mg_(Pt)cm^(-2))yields a peak power density of 1.9 W cm^(-2)for PEMFC under H_(2)-O_(2)condition,and ca.20%increase of power density under H_(2)-air condition as compared with conventional CCL,indicating the prospect of IL-MOF composites as an efficient additive to enhance the performance of PEMFCs.展开更多
Currently,the demand for electromagnetic wave(EMW)absorbing materials with specific functions and capable of withstanding harsh environments is becoming increasingly urgent.Multi-component interface engineering is con...Currently,the demand for electromagnetic wave(EMW)absorbing materials with specific functions and capable of withstanding harsh environments is becoming increasingly urgent.Multi-component interface engineering is considered an effective means to achieve high-efficiency EMW absorption.However,interface modulation engineering has not been fully discussed and has great potential in the field of EMW absorption.In this study,multi-component tin compound fiber composites based on carbon fiber(CF)substrate were prepared by electrospinning,hydrothermal synthesis,and high-temperature thermal reduction.By utilizing the different properties of different substances,rich heterogeneous interfaces are constructed.This effectively promotes charge transfer and enhances interfacial polarization and conduction loss.The prepared SnS/SnS_(2)/SnO_(2)/CF composites with abundant heterogeneous interfaces have and exhibit excellent EMW absorption properties at a loading of 50 wt%in epoxy resin.The minimum reflection loss(RL)is−46.74 dB and the maximum effective absorption bandwidth is 5.28 GHz.Moreover,SnS/SnS_(2)/SnO_(2)/CF epoxy composite coatings exhibited long-term corrosion resistance on Q235 steel surfaces.Therefore,this study provides an effective strategy for the design of high-efficiency EMW absorbing materials in complex and harsh environments.展开更多
The significance of water energy harvesting in the context of renewable energy utilization is steadily increasing.In response to the need for more efficient utilization of water resources,the nascent technology of liq...The significance of water energy harvesting in the context of renewable energy utilization is steadily increasing.In response to the need for more efficient utilization of water resources,the nascent technology of liquid-solid triboelectric nanogenerators(TENGs)has emerged as a prospective candidate for the harvesting of water energy.Liquid-solid TENGs show several distinct advantages,including their lightweight,low cost,and efficient energy harvesting capabilities.Herein,this review presents a comprehensive exposition of the latest advancements in the field of liquid-solid TENGs.It delves into the underlying principles and different operational modes while also addressing the factors influencing its output performance from a multifaceted perspective.The factors comprise the intrinsic properties of friction materials,the chemical properties of the liquid,and the ambient temperature of liquid-solid TENGs.Furthermore,this review delineates the applications of liquid-solid TENGs as self-powered sensors in physics,chemistry,and biomedical contexts,as well as their applications in various other fields such as corrosion resistance,and so on.Last but not least,it concludes by providing a forward-looking on the future developmental trends of liquid-solid TENGs.展开更多
Forced imbibition,the invasion of a wetting fluid into porous rocks,plays an important role in the effective exploitation of hydrocarbon resources and the geological sequestration of carbon dioxide.However,the interfa...Forced imbibition,the invasion of a wetting fluid into porous rocks,plays an important role in the effective exploitation of hydrocarbon resources and the geological sequestration of carbon dioxide.However,the interface dynamics influenced by complex topology commonly leads to non-wetting fluid trapping.Particularly,the underlying mechanisms under viscously unfavorable conditions remain unclear.This study employs a direct numerical simulation method to simulate forced imbibition through the reconstructed digital rocks of sandstone.The interface dynamics and fluid–fluid interactions are investigated through transient simulations,while the pore topology metrics are introduced to analyze the impact on steady-state residual fluid distribution obtained by a pseudo-transient scheme.The results show that the cooperative pore-filling process promoted by corner flow is dominant at low capillary numbers.This leads to unstable inlet pressure,mass flow,and interface curvature,which correspond to complicated interface dynamics and higher residual fluid saturation.During forced imbibition,the interface curvature gradually increases,with the pore-filling mechanisms involving the cooperation of main terminal meniscus movement and arc menisci filling.Complex topology with small diameter pores may result in the destabilization of interface curvature.The residual fluid saturation is negatively correlated with porosity and pore throat size,and positively correlated with tortuosity and aspect ratio.A large mean coordination number characterizing global connectivity promotes imbibition.However,high connectivity characterized by the standardized Euler number corresponding to small pores is associated with a high probability of non-wetting fluid trapping.展开更多
The risk of flammability is an unavoidable issue for gel polymer electrolytes(GPEs).Usually,flameretardant solvents are necessary to be used,but most of them would react with anode/cathode easily and cause serious int...The risk of flammability is an unavoidable issue for gel polymer electrolytes(GPEs).Usually,flameretardant solvents are necessary to be used,but most of them would react with anode/cathode easily and cause serious interfacial instability,which is a big challenge for design and application of nonflammable GPEs.Here,a nonflammable GPE(SGPE)is developed by in situ polymerizing trifluoroethyl methacrylate(TFMA)monomers with flame-retardant triethyl phosphate(TEP)solvents and LiTFSI–LiDFOB dual lithium salts.TEP is strongly anchored to PTFMA matrix via polarity interaction between-P=O and-CH_(2)CF_(3).It reduces free TEP molecules,which obviously mitigates interfacial reactions,and enhances flame-retardant performance of TEP surprisingly.Anchored TEP molecules are also inhibited in solvation of Li^(+),leading to anion-dominated solvation sheath,which creates inorganic-rich solid electrolyte interface/cathode electrolyte interface layers.Such coordination structure changes Li^(+)transport from sluggish vehicular to fast structural transport,raising ionic conductivity to 1.03 mS cm^(-1) and transfer number to 0.41 at 30℃.The Li|SGPE|Li cell presents highly reversible Li stripping/plating performance for over 1000 h at 0.1 mA cm^(−2),and 4.2 V LiCoO_(2)|SGPE|Li battery delivers high average specific capacity>120 mAh g^(−1) over 200 cycles.This study paves a new way to make nonflammable GPE that is compatible with Li metal anode.展开更多
CeO_(2) based semiconductor are widely used in solar-driven photothermal catalytic dry reforming of methane(DRM)reaction,but still suffer from low activity and low light utilization efficiency.This study developed gra...CeO_(2) based semiconductor are widely used in solar-driven photothermal catalytic dry reforming of methane(DRM)reaction,but still suffer from low activity and low light utilization efficiency.This study developed graphite-CeO_(2) interfaces to enhance solar-driven photothermal catalytic DRM.Compared with carbon nanotubes-modified CeO_(2)(CeO_(2)-CNT),graphite-modified CeO_(2)(CeO_(2)-GRA)constructed graphite-CeO_(2) interfaces with distortion in CeO_(2),leading to the formation abundant oxygen vacancies.These graphite-CeO_(2) interfaces with oxygen vacancies enhanced optical absorption and promoted the generation and separation of photogenerated carriers.The high endothermic capacity of graphite elevated the catalyst surface temperature from 592.1−691.3℃,boosting light-to-thermal conversion.The synergy between photogenerated carriers and localized heat enabled Ni/CeO_(2)-GRA to achieve a CO production rate of 9985.6 mmol/(g·h)(vs 7192.4 mmol/(g·h)for Ni/CeO_(2))and a light-to-fuel efficiency of 21.8%(vs 13.8%for Ni/CeO_(2)).This work provides insights for designing graphite-semiconductor interfaces to advance photothermal catalytic efficiency.展开更多
Efficient utilization of electrostatic charges is paramount for numerous applications,from printing to kinetic energy harvesting.However,existing technologies predominantly focus on the static qualities of these charg...Efficient utilization of electrostatic charges is paramount for numerous applications,from printing to kinetic energy harvesting.However,existing technologies predominantly focus on the static qualities of these charges,neglecting their dynamic capabilities as carriers for energy conversion.Herein,we report a paradigm-shifting strategy that orchestrates the swift transit of surface charges,generated through contact electrification,via a freely moving droplet.This technique ingeniously creates a bespoke charged surface which,in tandem with a droplet acting as a transfer medium to the ground,facilitates targeted charge displacement and amplifies electrical energy collection.The spontaneously generated electric field between the charged surface and needle tip,along with the enhanced water ionization under the electric field,proves pivotal in facilitating controlled charge transfer.By coupling the effects of charge self-transfer,contact electrification,and electrostatic induction,a dual-electrode droplet-driven(DD)triboelectric nanogenerator(TENG)is designed to harvest the water-related energy,exhibiting a two-orderof-magnitude improvement in electrical output compared to traditional single-electrode systems.Our strategy establishes a fundamental groundwork for efficient water drop energy acquisition,offering deep insights and substantial utility for future interdisciplinary research and applications in energy science.展开更多
Bionic interfaces exhibit multiscale features with various functions that reduce energy consumption and produce renewable resources to support life,triggering them an emerging area of technological revolution in many ...Bionic interfaces exhibit multiscale features with various functions that reduce energy consumption and produce renewable resources to support life,triggering them an emerging area of technological revolution in many disciplines.To improve the design and fabrication flexibility,additive manufacturing(AM)technology has been attempted to achieve multiscale structures and reconstruct biological functions at interfaces.Emerging AM of bionic interfaces has led to substantial advancements in renewable energy applications in recent years,but some challenges remain to be overcome.This review first presents a basic understanding of bionic mechanisms and typical manufacturing techniques especially AM.Subsequently,it emphasizes the latest progress of the bionic interfaces and AM on various renewable energy applications,such as those for wetting-controlled surfaces,energy harvesting,water treatment,batteries,and catalysts.Finally,it discusses some challenges and provides insights on how bionic interfaces and AM provide innovative solutions for next-generation renewable energy applications.展开更多
Cleat serves as the primary flow pathway for coalbed methane(CBM)and water.However,few studies consider the impact of local contact on two-phase flow within cleats.A visual generalized model of endogenous cleats was c...Cleat serves as the primary flow pathway for coalbed methane(CBM)and water.However,few studies consider the impact of local contact on two-phase flow within cleats.A visual generalized model of endogenous cleats was constructed based on microfluidics.A microscopic and mesoscopic observation technique was proposed to simultaneously capture gas-liquid interface morphology of pores and throat and the two-phase flow characteristics in entire cleat system.The local contact characteristics of cleats reduced absolute permeability,which resulted in a sharp increase in the starting pressure.The reduced gas flow capacity narrowed the co-infiltration area and decreased water saturation at the isotonic point in a hydrophilic environment.The increased local contact area of cleats weakened gas phase flow capacity and narrowed the co-infiltration area.Jumping events occurred in methane-water flow due to altered porosity caused by local contact in cleats.The distribution of residual phases changed the jumping direction on the micro-scale as well as the dominant channel on the mesoscale.Besides,jumping events caused additional energy dissipation,which was ignored in traditional two-phase flow models.This might contribute to the overestimation of relative permeability.The work provides new methods and insights for investigating unsaturated flow in complex porous media.展开更多
The bismuth-telluride-based alloy is the only thermoelectric material commercialized for the applications of refrigeration and energy harvesting,but its low cost-effectiveness severely restricts its large-scale ap-pli...The bismuth-telluride-based alloy is the only thermoelectric material commercialized for the applications of refrigeration and energy harvesting,but its low cost-effectiveness severely restricts its large-scale ap-plication.The introduction of a porous structure in bulk thermoelectric materials has been theoretically proven to effectively reduce thermal conductivity and cost.However,the electrical properties of highly porous materials are considerably suppressed due to the strong carrier scattering at the interface be-tween the matrix and pores,ultimately leading to decreased figure of merit,ZT.Here,we use an atomic layer deposition strategy to introduce some hollow glass bubbles with nano-oxide layers into commercial Bi_(0.5)Sb_(1.5)Te_(3)for preparing high-performance porous thermoelectric materials.Experimental results indi-cate that the nano-oxide layers weaken carrier scattering at the interface between pores and matrix while maintaining high-strength phonon scattering,thereby optimizing carrier/phonon transport behaviors,and effectively increasing the ZT by 23.2%(from 0.99 to 1.22 at 350 K).Besides,our strategy has excellent universality confirmed by its effectiveness in improving the ZT of Bi_(2)Te_(2.7)Se_(0.3),therefore demonstrating great potential for developing low-cost and high-performance thermoelectric materials.展开更多
The contact stiffness of the tool-holder assembly interface affects the overall dynamic performance of the milling system.Currently,the contact parameters are primarily established by minimizing the frequency response...The contact stiffness of the tool-holder assembly interface affects the overall dynamic performance of the milling system.Currently,the contact parameters are primarily established by minimizing the frequency response in modal tests and through dynamic simulation results.However,alterations in the structure or material of the tool-holder system necessitate multiple modal tests,thereby increasing computational costs.This study aims to streamline the process of determining contact stiffness and enhance accuracy by developing an analytical model that considers tool-holder contact properties.Initially,the microstructure of the contact surface is characterized via fractal theory to determine its fractal parameters.Then the contact coefficient is introduced to precisely depict the area distribution function of the microcontact.Building upon this,a contact stiffness model is established which is verified by the modal tests.The test results indicate that utilizing this model can reduce the structural modal frequency calculation error to 0.56%.Finally,the Monte Carlo algorithm is employed to investigate the sensitivity of fractal parameters and radial interference on contact characteristics.The findings demonstrate that the fractal dimension has the greatest influence on the dynamic behavior of the tool-holder structure.This study proposes a milling tool-holder contact stiffness modeling method from a microscopic perspective,which offers sufficient computational accuracy to provide a theoretical basis for the selection of milling tool-holder structures in practical machining.展开更多
Understanding the mechanical behavior of diagenetic mineral granules and interfaces in granite provides essential experimental references for constructing micromechanical models of granite.The micromechanical behavior...Understanding the mechanical behavior of diagenetic mineral granules and interfaces in granite provides essential experimental references for constructing micromechanical models of granite.The micromechanical behavior of Yanshanian granite is investigated using scanning electron microscopy-energy dispersive spectroscopy(SEM-EDS)and nanoindentation tests.The results demonstrate transitional mechanical properties at mineral interfaces.The elastic modulus and hardness exhibit intermediate values between adjacent mineral phases.The higher plasticity indices at the interfaces suggest higher plastic deformation capacity of hard-phase minerals in these regions.Additionally,fracture toughness measurements of minerals and interfaces were obtained,with interfacial values ranging from 0.90 to 1.63 MPa·m^(0.5).The analysis of mechanical property relationships shows a significant positive linear correlation between rock-scale elastic modulus and fracture toughness.However,this correlation is substantially lower at the mineral scale,demonstrating a scale effect in the relationship of different mechanical properties.展开更多
The variable salinity in stored reservoirs connected by a long channel attracts the attention of scientists worldwide,having applications in environmental and geophysical engineering.This study explores the impact of ...The variable salinity in stored reservoirs connected by a long channel attracts the attention of scientists worldwide,having applications in environmental and geophysical engineering.This study explores the impact of Navier slip conditions on exchange flows within a long channel connecting two large reservoirs of differing salinity.These horizontal density gradients drive the flow.We modify the recent one-dimensional theory,developed to avoid runaway stratification,to account for the presence of uniform slip walls.By adjusting the parameters of the horizontal density gradient based on the slip factor,we resolve analytically various flow regimes ranging from high diffusion to transitional high advection.These regimes are governed by physical parameters like channel aspect ratio,slip factor,Schmidt number,and gravitational Reynolds number.Our solutions align perfectly with ones in the no-slip limit.More importantly,under the conditions of no net flow across the channel and high Schmidt number(where stratification is concentrated near the channel’s mid-layer),we derive a closed-form solution for the slip parameter,aspect ratio,and gravitational Reynolds number that describes the interface’s behavior as a sharp interface separating two distinct zones.This interface,arising from hydrostatic wall gradients,ultimately detaches the low-and high-density regimes throughout the channel when the gravitational Reynolds number is inversely proportional to the aspect ratio for a fixed slip parameter.This phenomenon,observed previously in 2D numerical simulations with no-slip walls in the literature,is thus confirmed by our theoretical results.Our findings further demonstrate that wall slip leads to distinct and diverse flow regimes.展开更多
Micron-sized silicon anodes offer significant industrial advantages over nanoscale counterparts due to their cost-effectiveness and scalability.However,their practical applications are significantly hindered by severe...Micron-sized silicon anodes offer significant industrial advantages over nanoscale counterparts due to their cost-effectiveness and scalability.However,their practical applications are significantly hindered by severe stress-induced fragmentation,leading to rapid capacity decay.Addressing this challenge,we introduce a novel dual-conformal encapsulated micron-sized porous Si(μm-pSi)anode by utilizingμm-Si recycled from the photovoltaic industry as the Si precursor.This encapsulation design of the internal conformal SiO_(x)/C layer and external Ti_(3)C_(2)Tx MXene layer forms intergranular and intragranular protective skins onμm-pSi,ensuring simultaneous mechanical and electrochemical stability for efficient Li+storage.As a result,the fabricated WpSi@SiO_(x)/C@MXene anode demonstrates an exceptional cycling performance,delivering 535.1 mA h g^(−1)after 1500 cycles at 5 A g^(−1)with a minimal capacity decay of 0.003%per cycle.Chemo-mechanical modeling and SEI analysis reveal that the dual-conformal coating achieves exceptional mechanical and electrochemical stability through robust mechanical confinement and ultra-fast Li+diffusion kinetics during lithiation,coupled with a Li_(2)CO_(3)/LiF-rich hybrid SEI that facilitates Li+transport,collectively enabling rate-insensitive stress evolution,long-term structural durability,and stable cycling under high-rate conditions.This work provides a compelling design strategy for leveraging sustainableμm-Si to achieve high-rate and long-life lithium-ion batteries.展开更多
The current work addresses the challenge of elucidating the performance of fluoroelastomers within the HMX(octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)based polymer-bonded explosives(PBXs).To simulate the confine...The current work addresses the challenge of elucidating the performance of fluoroelastomers within the HMX(octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)based polymer-bonded explosives(PBXs).To simulate the confined interface in PBXs,bilayer films of F2314/HMX and F2311/HMX were designed.Neutron reflectivity(NR),nanoindentation,and X-ray reflectivity(XRR)were employed to examine the layer thickness,interface characteristics,diffusion behavior,and surface morphology of the bilayers.NR measurements revealed interface thicknesses of 45Å and 98Å for F2314/HMX and F2311/HMX,respectively,indicating deeper penetration of F2311 into the HMX matrix.NR also suggested a denser polymer network with a higher scattering length density(SLD)near the HMX interface for both fluoroelastomers,while the bound layer of F2311 was notably thicker.Nanoindentation cross-checks and confirms the presence of a bound layer,highlighting the differences in stiffness and diffusion ability between the two polymers.The consistency between the NR and nanoindentation results suggests that F2311 demonstrates better flexibility and elasticity,whereas F2314 is stiffer and more plastic.Accordingly,the structures and performances of different fluoroelastomers at the HMX interface are discussed,which can provide valuable insights into the selection of binders for PBX formulations tailored to specific applications.展开更多
Batteries play a critical role in electric vehicles and distributed energy generation.With the growing demand for energy storage solutions,new battery materials and systems are continually being developed.In this proc...Batteries play a critical role in electric vehicles and distributed energy generation.With the growing demand for energy storage solutions,new battery materials and systems are continually being developed.In this process,molecular dynamics(MD)simulations can reveal the microscopic mechanisms of battery processes,thereby boosting the design of batteries.Compared to other MD simulation techniques,the machine learning force field(MLFF)holds the advantages of first-principles accuracy along with large spatial and temporal scale,offering opportunities to uncover new mechanisms in battery systems.This review presents a detailed overview of the fundamental principles and model types of MLFFs,as well as their applications in simulating the structure,transport properties,and chemical reaction properties of bulk battery materials and interfaces.Notably,we emphasize the long-range interaction corrections and constant-potential methods in the model design of MLFFs.Finally,we discuss the challenges and prospects of applying MLFF models in the research of batteries.展开更多
Surface passivation with organic ammoniums improves perovskite solar cell performance by forming 2D/quasi-2D structures or adsorbing onto surfaces.However,complexity from mixed phases can trigger phase transitions,com...Surface passivation with organic ammoniums improves perovskite solar cell performance by forming 2D/quasi-2D structures or adsorbing onto surfaces.However,complexity from mixed phases can trigger phase transitions,compromising stability.The control of surface dimensionality after organic ammonium passivation presents significant importance to device stability.In this study,we developed a poly-fluorination strategy for surface treatment in perovskite solar cells,which enabled a high and durable interfacial phase purity after surface passivation.The locked surface dimensionality of perovskite was achieved through robust interaction between the poly-fluorinated ammoniums and the perovskite surface,along with the steric hindrance imparted by fluorine atoms,reducing its reactivity and penetration capabilities.The high hydrophobicity of the poly-fluorinated surface also aids in moisture resistance of the perovskite layer.The champion device achieved a power conversion efficiency(PCE)of 25.2% with certified 24.6%,with 90% of its initial PCE retained after approximately 1200 h under continuous 1-sun illumination,and over 14,400 h storage stability and superior stability under high-temperature operation.展开更多
We study the effects of gas adsorption on the dynamics and stability of nanobubbles at the solid–liquid interface. The phase diagram and dynamic evolution of surface nanobubbles were analyzed under varying equilibriu...We study the effects of gas adsorption on the dynamics and stability of nanobubbles at the solid–liquid interface. The phase diagram and dynamic evolution of surface nanobubbles were analyzed under varying equilibrium adsorption constant.Four distinct dynamic behaviors appear in the phase diagram: shrinking to dissolution, expanding to bursting, shrinking to stability, and expanding to stability. Special boundary states are identified in phase diagram, where the continuous growth of nanobubbles can take place even under very weak gas–surface interaction or with very small initial bubble size. Surface adsorption plays a critical role in the stability, lifetime, radius, and contact angle of nanobubbles, thereby demonstrating that pinning is not a prerequisite for stabilization. Furthermore, stable equilibrium nanobubbles exhibit a characteristic range of footprint radius, a limited height, and a small contact angle, consistent with experimental observations.展开更多
In situ growth of co-catalysts on BiVO_(4)(BVO)to enhance photoelectrochemical(PEC)water splitting performance has been extensively reported.However,the understanding of the synergistic effects among various elements,...In situ growth of co-catalysts on BiVO_(4)(BVO)to enhance photoelectrochemical(PEC)water splitting performance has been extensively reported.However,the understanding of the synergistic effects among various elements,especially at the interface between the semiconductor and cocatalyst,has received insufficient attention.In this study,we report a Co,Ni and Mn trimetallic fluoride-modified BVO photoanode featuring a unique interfacial chemical bond(V-F).Under AM 1.5 G illumination,an exciting photocurrent density of 6.05 mA cm^(-2)was achieved at 1.23 V vs.RHE by the integrated BVO/CoNi_(0.18)Mn_(0.12)(OH)_(x)F photoanode and over 98%of the initial photocurrent was maintained after 10 h of photoelectrolysis.Control experiments and theoretical calculations demonstrate that the V-F interfacial bond stabilizes the Co^(2+)active sites.It serves as a transmission gear,interlinking the migration of interfacial charge and the regeneration of cocatalyst,endowing the photoanode with significant activity and stability.Furthermore,we have systematically elucidated the role of the individual Co,Ni,and Mn components in the synergistic cocatalyst layer.The interfacial modification provides novel insights into developing advanced photoanodes towards PEC water splitting.展开更多
基金supported by the Fundamental Research Program of Shanxi Province(202403021221148)the Taiyuan University of Science and Technology Graduate Education Innovation Project(SY2023001)+1 种基金the Special Funding Projects for Local Science and Technology Development guided by the Central Committee(YDZJSX2022C028)the Shanxi Province Research and Innovation Project(2024KY656)。
文摘Aluminum-air batteries(AABs)are considered the most promising candidates in advanced clean energy conversion and storage due to their low density,high specific energy,and abundant aluminum resources;however,the development of AABs is constrained by inevitable parasitic side reactions and anodic surface passivation film formation.The present work introduced an innovative hybrid corrosion inhibitor consisting of potassium stannate,decyl glucoside,and 1,10-decanedithiol to regulate solid-liquid interface reactions in alkaline AABs.The findings indicated that the optimal hybrid corrosion inhibitor could reduce the hydrogen evolution rate from 0.2095 to 0.0406 mL cm^(-2)min^(-1),achieving an inhibition efficiency of 80.62%.The surface analysis discussed in detail the evolution process of the solid-liquid interface after the introduction of the hybrid corrosion inhibitor into the battery.Experiments and theoretical calculations revealed that decyl glucoside enhanced the adsorption and coverage efficiency of the hybrid corrosion inhibitor through the“micelle solubilization”effect and optimized the structure and properties of the solid-liquid interface.This study also contributed valuable insights into the corrosion inhibition mechanism at the solid-liquid interface of alkaline AABs.
文摘The large-scale commercialization of proton exchange membrane fuel cells(PEMFCs)has been hindered by the high demand of platinum(Pt)in the cathode due to the sluggish kinetics of the oxygen reduction reaction.Reducing the amount of Pt would worsen the problems caused by the adsorption of perfluorinated sulfonic acid(PFSA)ionomers to Pt via the side chains,namely,blocking the active sites of Pt and inducing densely packed layers of fluorocarbon backbones on Pt surface to obstruct local O_(2)transport at the Pt/PFSA interfaces.This work aims at optimizing the Pt/ionomer interface to mitigate the sulfonate adsorption and in the meantime to reduce the local O_(2)transport resistance(R_(local)),by using a porous composite of 1-butyl-3-methylimidazolium hydrogen sulfate ionic liquid(IL)modified MOF-808(BMImHSO_(4)@MOF-808)as additive in cathodic catalyst layer(CCL).Through detailed physical,spectroscopic and electrochemical characterizations,we demonstrate a three-fold optimization mechanism of Pt/ionomer interface structure by BMImHSO_(4)@MOF-808:the unsaturated metal sites in MOF-808 effectively inhibit the sulfonate adsorption on Pt through coordination with the sulfonates of PFSA,thereby improving catalyst utilization;the pores in MOF-808 establish efficient transport channels for gaseous oxygen,significantly reducing R_(local);the IL modification layers facilitate the formation of continuous proton transport networks,increasing proton conductivity.The incorporation of BMImHSO_(4)@MOF-808 in a low-Pt CCL(0.1 mg_(Pt)cm^(-2))yields a peak power density of 1.9 W cm^(-2)for PEMFC under H_(2)-O_(2)condition,and ca.20%increase of power density under H_(2)-air condition as compared with conventional CCL,indicating the prospect of IL-MOF composites as an efficient additive to enhance the performance of PEMFCs.
基金financially supported by the National Natural Science Foundation of China(No.52377026 and No.52301192)Taishan Scholars and Young Experts Program of Shandong Province(No.tsqn202103057)+4 种基金Postdoctoral Fellowship Program of CPSF under Grant Number(No.GZB20240327)Shandong Postdoctoral Science Foundation(No.SDCXZG-202400275)Qingdao Postdoctoral Application Research Project(No.QDBSH20240102023)China Postdoctoral Science Foundation(No.2024M751563)the Qingchuang Talents Induction Program of Shandong Higher Education Institution(Research and Innovation Team of Structural-Functional Polymer Composites).
文摘Currently,the demand for electromagnetic wave(EMW)absorbing materials with specific functions and capable of withstanding harsh environments is becoming increasingly urgent.Multi-component interface engineering is considered an effective means to achieve high-efficiency EMW absorption.However,interface modulation engineering has not been fully discussed and has great potential in the field of EMW absorption.In this study,multi-component tin compound fiber composites based on carbon fiber(CF)substrate were prepared by electrospinning,hydrothermal synthesis,and high-temperature thermal reduction.By utilizing the different properties of different substances,rich heterogeneous interfaces are constructed.This effectively promotes charge transfer and enhances interfacial polarization and conduction loss.The prepared SnS/SnS_(2)/SnO_(2)/CF composites with abundant heterogeneous interfaces have and exhibit excellent EMW absorption properties at a loading of 50 wt%in epoxy resin.The minimum reflection loss(RL)is−46.74 dB and the maximum effective absorption bandwidth is 5.28 GHz.Moreover,SnS/SnS_(2)/SnO_(2)/CF epoxy composite coatings exhibited long-term corrosion resistance on Q235 steel surfaces.Therefore,this study provides an effective strategy for the design of high-efficiency EMW absorbing materials in complex and harsh environments.
基金supported by the National Natural Science Foundation Project of China(No.52201056)the funding of postdoctoral researchers in Anhui Province(No.2022B613)the College Excellent Young Foundation of Anhui Province(No.2023AH030029).
文摘The significance of water energy harvesting in the context of renewable energy utilization is steadily increasing.In response to the need for more efficient utilization of water resources,the nascent technology of liquid-solid triboelectric nanogenerators(TENGs)has emerged as a prospective candidate for the harvesting of water energy.Liquid-solid TENGs show several distinct advantages,including their lightweight,low cost,and efficient energy harvesting capabilities.Herein,this review presents a comprehensive exposition of the latest advancements in the field of liquid-solid TENGs.It delves into the underlying principles and different operational modes while also addressing the factors influencing its output performance from a multifaceted perspective.The factors comprise the intrinsic properties of friction materials,the chemical properties of the liquid,and the ambient temperature of liquid-solid TENGs.Furthermore,this review delineates the applications of liquid-solid TENGs as self-powered sensors in physics,chemistry,and biomedical contexts,as well as their applications in various other fields such as corrosion resistance,and so on.Last but not least,it concludes by providing a forward-looking on the future developmental trends of liquid-solid TENGs.
基金supported by the National Natural Science Foundation of China(Grant Nos.42172159 and 42302143)the Postdoctora Fellowship Program of the China Postdoctoral Science Foundation(CPSF)(Grant No.GZB20230864).
文摘Forced imbibition,the invasion of a wetting fluid into porous rocks,plays an important role in the effective exploitation of hydrocarbon resources and the geological sequestration of carbon dioxide.However,the interface dynamics influenced by complex topology commonly leads to non-wetting fluid trapping.Particularly,the underlying mechanisms under viscously unfavorable conditions remain unclear.This study employs a direct numerical simulation method to simulate forced imbibition through the reconstructed digital rocks of sandstone.The interface dynamics and fluid–fluid interactions are investigated through transient simulations,while the pore topology metrics are introduced to analyze the impact on steady-state residual fluid distribution obtained by a pseudo-transient scheme.The results show that the cooperative pore-filling process promoted by corner flow is dominant at low capillary numbers.This leads to unstable inlet pressure,mass flow,and interface curvature,which correspond to complicated interface dynamics and higher residual fluid saturation.During forced imbibition,the interface curvature gradually increases,with the pore-filling mechanisms involving the cooperation of main terminal meniscus movement and arc menisci filling.Complex topology with small diameter pores may result in the destabilization of interface curvature.The residual fluid saturation is negatively correlated with porosity and pore throat size,and positively correlated with tortuosity and aspect ratio.A large mean coordination number characterizing global connectivity promotes imbibition.However,high connectivity characterized by the standardized Euler number corresponding to small pores is associated with a high probability of non-wetting fluid trapping.
基金supported by the National Natural Science Foundation of China(Nos.52172214,52272221,52171182)the Postdoctoral Innovation Project of Shandong Province(No.202102003)+2 种基金The Key Research and Development Program of Shandong Province(2021ZLGX01)the Qilu Young Scholar ProgramHPC Cloud Platform of Shandong University are also thanked.
文摘The risk of flammability is an unavoidable issue for gel polymer electrolytes(GPEs).Usually,flameretardant solvents are necessary to be used,but most of them would react with anode/cathode easily and cause serious interfacial instability,which is a big challenge for design and application of nonflammable GPEs.Here,a nonflammable GPE(SGPE)is developed by in situ polymerizing trifluoroethyl methacrylate(TFMA)monomers with flame-retardant triethyl phosphate(TEP)solvents and LiTFSI–LiDFOB dual lithium salts.TEP is strongly anchored to PTFMA matrix via polarity interaction between-P=O and-CH_(2)CF_(3).It reduces free TEP molecules,which obviously mitigates interfacial reactions,and enhances flame-retardant performance of TEP surprisingly.Anchored TEP molecules are also inhibited in solvation of Li^(+),leading to anion-dominated solvation sheath,which creates inorganic-rich solid electrolyte interface/cathode electrolyte interface layers.Such coordination structure changes Li^(+)transport from sluggish vehicular to fast structural transport,raising ionic conductivity to 1.03 mS cm^(-1) and transfer number to 0.41 at 30℃.The Li|SGPE|Li cell presents highly reversible Li stripping/plating performance for over 1000 h at 0.1 mA cm^(−2),and 4.2 V LiCoO_(2)|SGPE|Li battery delivers high average specific capacity>120 mAh g^(−1) over 200 cycles.This study paves a new way to make nonflammable GPE that is compatible with Li metal anode.
文摘CeO_(2) based semiconductor are widely used in solar-driven photothermal catalytic dry reforming of methane(DRM)reaction,but still suffer from low activity and low light utilization efficiency.This study developed graphite-CeO_(2) interfaces to enhance solar-driven photothermal catalytic DRM.Compared with carbon nanotubes-modified CeO_(2)(CeO_(2)-CNT),graphite-modified CeO_(2)(CeO_(2)-GRA)constructed graphite-CeO_(2) interfaces with distortion in CeO_(2),leading to the formation abundant oxygen vacancies.These graphite-CeO_(2) interfaces with oxygen vacancies enhanced optical absorption and promoted the generation and separation of photogenerated carriers.The high endothermic capacity of graphite elevated the catalyst surface temperature from 592.1−691.3℃,boosting light-to-thermal conversion.The synergy between photogenerated carriers and localized heat enabled Ni/CeO_(2)-GRA to achieve a CO production rate of 9985.6 mmol/(g·h)(vs 7192.4 mmol/(g·h)for Ni/CeO_(2))and a light-to-fuel efficiency of 21.8%(vs 13.8%for Ni/CeO_(2)).This work provides insights for designing graphite-semiconductor interfaces to advance photothermal catalytic efficiency.
基金supported by the Natural Science Foundation of Zhejiang Province(LZ22C130001)the National Natural Science Foundation of China(32171887,and 52002028,and 52192610)+1 种基金the National Key Research and Development Project from Minister of Science&Technology(2021YFA0202704)Beijing Municipal Science&Technology Commission(Z171100002017017).
文摘Efficient utilization of electrostatic charges is paramount for numerous applications,from printing to kinetic energy harvesting.However,existing technologies predominantly focus on the static qualities of these charges,neglecting their dynamic capabilities as carriers for energy conversion.Herein,we report a paradigm-shifting strategy that orchestrates the swift transit of surface charges,generated through contact electrification,via a freely moving droplet.This technique ingeniously creates a bespoke charged surface which,in tandem with a droplet acting as a transfer medium to the ground,facilitates targeted charge displacement and amplifies electrical energy collection.The spontaneously generated electric field between the charged surface and needle tip,along with the enhanced water ionization under the electric field,proves pivotal in facilitating controlled charge transfer.By coupling the effects of charge self-transfer,contact electrification,and electrostatic induction,a dual-electrode droplet-driven(DD)triboelectric nanogenerator(TENG)is designed to harvest the water-related energy,exhibiting a two-orderof-magnitude improvement in electrical output compared to traditional single-electrode systems.Our strategy establishes a fundamental groundwork for efficient water drop energy acquisition,offering deep insights and substantial utility for future interdisciplinary research and applications in energy science.
基金supported by the Guangdong Province Science and Technology Plan Project 2023B1212120008Shenzhen Science and Technology Program JCYJ20220818101204010+1 种基金RGC Theme-based Research Scheme AoE/M-402/20Hong Kong Innovation and Technology Commission via the Hong Kong Branch of National Precious Metals Materials Engineering Research Center.
文摘Bionic interfaces exhibit multiscale features with various functions that reduce energy consumption and produce renewable resources to support life,triggering them an emerging area of technological revolution in many disciplines.To improve the design and fabrication flexibility,additive manufacturing(AM)technology has been attempted to achieve multiscale structures and reconstruct biological functions at interfaces.Emerging AM of bionic interfaces has led to substantial advancements in renewable energy applications in recent years,but some challenges remain to be overcome.This review first presents a basic understanding of bionic mechanisms and typical manufacturing techniques especially AM.Subsequently,it emphasizes the latest progress of the bionic interfaces and AM on various renewable energy applications,such as those for wetting-controlled surfaces,energy harvesting,water treatment,batteries,and catalysts.Finally,it discusses some challenges and provides insights on how bionic interfaces and AM provide innovative solutions for next-generation renewable energy applications.
基金the financial support from the National Natural Science Foundation of China (No.42102127)the Postdoctoral Research Foundation of China (No.2024 M751860)。
文摘Cleat serves as the primary flow pathway for coalbed methane(CBM)and water.However,few studies consider the impact of local contact on two-phase flow within cleats.A visual generalized model of endogenous cleats was constructed based on microfluidics.A microscopic and mesoscopic observation technique was proposed to simultaneously capture gas-liquid interface morphology of pores and throat and the two-phase flow characteristics in entire cleat system.The local contact characteristics of cleats reduced absolute permeability,which resulted in a sharp increase in the starting pressure.The reduced gas flow capacity narrowed the co-infiltration area and decreased water saturation at the isotonic point in a hydrophilic environment.The increased local contact area of cleats weakened gas phase flow capacity and narrowed the co-infiltration area.Jumping events occurred in methane-water flow due to altered porosity caused by local contact in cleats.The distribution of residual phases changed the jumping direction on the micro-scale as well as the dominant channel on the mesoscale.Besides,jumping events caused additional energy dissipation,which was ignored in traditional two-phase flow models.This might contribute to the overestimation of relative permeability.The work provides new methods and insights for investigating unsaturated flow in complex porous media.
基金supported by the National Natural Science Foundation of China(Nos.U21A2054,21905007)the Key Discipline of Materials Science and Engineering,Bureau of Education of Guangzhou(Grant No.202255464).
文摘The bismuth-telluride-based alloy is the only thermoelectric material commercialized for the applications of refrigeration and energy harvesting,but its low cost-effectiveness severely restricts its large-scale ap-plication.The introduction of a porous structure in bulk thermoelectric materials has been theoretically proven to effectively reduce thermal conductivity and cost.However,the electrical properties of highly porous materials are considerably suppressed due to the strong carrier scattering at the interface be-tween the matrix and pores,ultimately leading to decreased figure of merit,ZT.Here,we use an atomic layer deposition strategy to introduce some hollow glass bubbles with nano-oxide layers into commercial Bi_(0.5)Sb_(1.5)Te_(3)for preparing high-performance porous thermoelectric materials.Experimental results indi-cate that the nano-oxide layers weaken carrier scattering at the interface between pores and matrix while maintaining high-strength phonon scattering,thereby optimizing carrier/phonon transport behaviors,and effectively increasing the ZT by 23.2%(from 0.99 to 1.22 at 350 K).Besides,our strategy has excellent universality confirmed by its effectiveness in improving the ZT of Bi_(2)Te_(2.7)Se_(0.3),therefore demonstrating great potential for developing low-cost and high-performance thermoelectric materials.
基金Supported by National Science and Technology Major Project of China(Grant No.J2019-VII-0001-0141).
文摘The contact stiffness of the tool-holder assembly interface affects the overall dynamic performance of the milling system.Currently,the contact parameters are primarily established by minimizing the frequency response in modal tests and through dynamic simulation results.However,alterations in the structure or material of the tool-holder system necessitate multiple modal tests,thereby increasing computational costs.This study aims to streamline the process of determining contact stiffness and enhance accuracy by developing an analytical model that considers tool-holder contact properties.Initially,the microstructure of the contact surface is characterized via fractal theory to determine its fractal parameters.Then the contact coefficient is introduced to precisely depict the area distribution function of the microcontact.Building upon this,a contact stiffness model is established which is verified by the modal tests.The test results indicate that utilizing this model can reduce the structural modal frequency calculation error to 0.56%.Finally,the Monte Carlo algorithm is employed to investigate the sensitivity of fractal parameters and radial interference on contact characteristics.The findings demonstrate that the fractal dimension has the greatest influence on the dynamic behavior of the tool-holder structure.This study proposes a milling tool-holder contact stiffness modeling method from a microscopic perspective,which offers sufficient computational accuracy to provide a theoretical basis for the selection of milling tool-holder structures in practical machining.
基金funded by the National Natural Science Foundation of China(Nos.52422403 and U22A20166)the Deep Earth Probe and Mineral Resources Exploration-National Science and Technology Major Project(No.2024ZD1003903)+1 种基金the Department of Science and Technology of Guangdong Province(No.2019ZT08G315)Guangdong Basic and Applied Basic Research Foundation(No.2023A1515012654).
文摘Understanding the mechanical behavior of diagenetic mineral granules and interfaces in granite provides essential experimental references for constructing micromechanical models of granite.The micromechanical behavior of Yanshanian granite is investigated using scanning electron microscopy-energy dispersive spectroscopy(SEM-EDS)and nanoindentation tests.The results demonstrate transitional mechanical properties at mineral interfaces.The elastic modulus and hardness exhibit intermediate values between adjacent mineral phases.The higher plasticity indices at the interfaces suggest higher plastic deformation capacity of hard-phase minerals in these regions.Additionally,fracture toughness measurements of minerals and interfaces were obtained,with interfacial values ranging from 0.90 to 1.63 MPa·m^(0.5).The analysis of mechanical property relationships shows a significant positive linear correlation between rock-scale elastic modulus and fracture toughness.However,this correlation is substantially lower at the mineral scale,demonstrating a scale effect in the relationship of different mechanical properties.
文摘The variable salinity in stored reservoirs connected by a long channel attracts the attention of scientists worldwide,having applications in environmental and geophysical engineering.This study explores the impact of Navier slip conditions on exchange flows within a long channel connecting two large reservoirs of differing salinity.These horizontal density gradients drive the flow.We modify the recent one-dimensional theory,developed to avoid runaway stratification,to account for the presence of uniform slip walls.By adjusting the parameters of the horizontal density gradient based on the slip factor,we resolve analytically various flow regimes ranging from high diffusion to transitional high advection.These regimes are governed by physical parameters like channel aspect ratio,slip factor,Schmidt number,and gravitational Reynolds number.Our solutions align perfectly with ones in the no-slip limit.More importantly,under the conditions of no net flow across the channel and high Schmidt number(where stratification is concentrated near the channel’s mid-layer),we derive a closed-form solution for the slip parameter,aspect ratio,and gravitational Reynolds number that describes the interface’s behavior as a sharp interface separating two distinct zones.This interface,arising from hydrostatic wall gradients,ultimately detaches the low-and high-density regimes throughout the channel when the gravitational Reynolds number is inversely proportional to the aspect ratio for a fixed slip parameter.This phenomenon,observed previously in 2D numerical simulations with no-slip walls in the literature,is thus confirmed by our theoretical results.Our findings further demonstrate that wall slip leads to distinct and diverse flow regimes.
基金the financial support from the Natural Science Foundation of Shanghai(23ZR1423800)Open Research Fund of Shanghai Key Laboratory of Green Chemistry and Chemical Processes(East China Normal University,202503)+1 种基金State Key Laboratory of Advanced Fiber Materials(Donghua University,KF2406)Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education),Nankai University。
文摘Micron-sized silicon anodes offer significant industrial advantages over nanoscale counterparts due to their cost-effectiveness and scalability.However,their practical applications are significantly hindered by severe stress-induced fragmentation,leading to rapid capacity decay.Addressing this challenge,we introduce a novel dual-conformal encapsulated micron-sized porous Si(μm-pSi)anode by utilizingμm-Si recycled from the photovoltaic industry as the Si precursor.This encapsulation design of the internal conformal SiO_(x)/C layer and external Ti_(3)C_(2)Tx MXene layer forms intergranular and intragranular protective skins onμm-pSi,ensuring simultaneous mechanical and electrochemical stability for efficient Li+storage.As a result,the fabricated WpSi@SiO_(x)/C@MXene anode demonstrates an exceptional cycling performance,delivering 535.1 mA h g^(−1)after 1500 cycles at 5 A g^(−1)with a minimal capacity decay of 0.003%per cycle.Chemo-mechanical modeling and SEI analysis reveal that the dual-conformal coating achieves exceptional mechanical and electrochemical stability through robust mechanical confinement and ultra-fast Li+diffusion kinetics during lithiation,coupled with a Li_(2)CO_(3)/LiF-rich hybrid SEI that facilitates Li+transport,collectively enabling rate-insensitive stress evolution,long-term structural durability,and stable cycling under high-rate conditions.This work provides a compelling design strategy for leveraging sustainableμm-Si to achieve high-rate and long-life lithium-ion batteries.
基金supported in part by the National Natural Science Foundation of China(Nos.12335018,12105264,and 12275248)NSAF Joint Fund Project(Nos.U2230107,U1730244,U2130207)+1 种基金Innovation and Development Fund of China Academy of Engineering Physics(No.CXKS20240052)Central Guidance for Local Science and Technology Development Fund Project(No.2023ZYDF075).
文摘The current work addresses the challenge of elucidating the performance of fluoroelastomers within the HMX(octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)based polymer-bonded explosives(PBXs).To simulate the confined interface in PBXs,bilayer films of F2314/HMX and F2311/HMX were designed.Neutron reflectivity(NR),nanoindentation,and X-ray reflectivity(XRR)were employed to examine the layer thickness,interface characteristics,diffusion behavior,and surface morphology of the bilayers.NR measurements revealed interface thicknesses of 45Å and 98Å for F2314/HMX and F2311/HMX,respectively,indicating deeper penetration of F2311 into the HMX matrix.NR also suggested a denser polymer network with a higher scattering length density(SLD)near the HMX interface for both fluoroelastomers,while the bound layer of F2311 was notably thicker.Nanoindentation cross-checks and confirms the presence of a bound layer,highlighting the differences in stiffness and diffusion ability between the two polymers.The consistency between the NR and nanoindentation results suggests that F2311 demonstrates better flexibility and elasticity,whereas F2314 is stiffer and more plastic.Accordingly,the structures and performances of different fluoroelastomers at the HMX interface are discussed,which can provide valuable insights into the selection of binders for PBX formulations tailored to specific applications.
基金funding support from the National Natural Science Foundation of China(92472109,T2325012)the Program for HUST Academic Frontier Youth Team+1 种基金support from the Fundamental Research Funds for the Central Universities(HUST,5003120083)supported by the Postdoctoral Fellowship Program of CPSF(GZC20240532)。
文摘Batteries play a critical role in electric vehicles and distributed energy generation.With the growing demand for energy storage solutions,new battery materials and systems are continually being developed.In this process,molecular dynamics(MD)simulations can reveal the microscopic mechanisms of battery processes,thereby boosting the design of batteries.Compared to other MD simulation techniques,the machine learning force field(MLFF)holds the advantages of first-principles accuracy along with large spatial and temporal scale,offering opportunities to uncover new mechanisms in battery systems.This review presents a detailed overview of the fundamental principles and model types of MLFFs,as well as their applications in simulating the structure,transport properties,and chemical reaction properties of bulk battery materials and interfaces.Notably,we emphasize the long-range interaction corrections and constant-potential methods in the model design of MLFFs.Finally,we discuss the challenges and prospects of applying MLFF models in the research of batteries.
基金grants(grant numbers LR24F040001,LD24E020001 and LD22E020002)from the Natural Science Foundation of Zhejiang Province of Chinathe National Natural Science Foundation of China(grant number 62274146)+1 种基金the support of Key R&D Program of Zhejiang(2024SSYS0061)supported by the Fundamental Research Funds for the Central Universities(226-2022-00200).
文摘Surface passivation with organic ammoniums improves perovskite solar cell performance by forming 2D/quasi-2D structures or adsorbing onto surfaces.However,complexity from mixed phases can trigger phase transitions,compromising stability.The control of surface dimensionality after organic ammonium passivation presents significant importance to device stability.In this study,we developed a poly-fluorination strategy for surface treatment in perovskite solar cells,which enabled a high and durable interfacial phase purity after surface passivation.The locked surface dimensionality of perovskite was achieved through robust interaction between the poly-fluorinated ammoniums and the perovskite surface,along with the steric hindrance imparted by fluorine atoms,reducing its reactivity and penetration capabilities.The high hydrophobicity of the poly-fluorinated surface also aids in moisture resistance of the perovskite layer.The champion device achieved a power conversion efficiency(PCE)of 25.2% with certified 24.6%,with 90% of its initial PCE retained after approximately 1200 h under continuous 1-sun illumination,and over 14,400 h storage stability and superior stability under high-temperature operation.
基金Project supported by the Natural Science Foundation of Guangxi Zhuang Autonomous Region, China (Grant No. 2022GXNSFAA035487)the National Natural Science Foundation of China (Grant Nos. 12272100, 11474285, and 12074382)+2 种基金the Graduate Education Innovation Project of Guangxi Zhuang Autonomous Region, China (Grant No. XJCY2022012)the Guangxi Normal University Ideological and Political Demonstration Course Construction Project (Grant Nos. 2022kcsz15 and 2023kcsz29)the Innovation Project of Graduate Education of Guangxi Zhuang Autonomous Region, China (Grant No. YCBZ2024087)。
文摘We study the effects of gas adsorption on the dynamics and stability of nanobubbles at the solid–liquid interface. The phase diagram and dynamic evolution of surface nanobubbles were analyzed under varying equilibrium adsorption constant.Four distinct dynamic behaviors appear in the phase diagram: shrinking to dissolution, expanding to bursting, shrinking to stability, and expanding to stability. Special boundary states are identified in phase diagram, where the continuous growth of nanobubbles can take place even under very weak gas–surface interaction or with very small initial bubble size. Surface adsorption plays a critical role in the stability, lifetime, radius, and contact angle of nanobubbles, thereby demonstrating that pinning is not a prerequisite for stabilization. Furthermore, stable equilibrium nanobubbles exhibit a characteristic range of footprint radius, a limited height, and a small contact angle, consistent with experimental observations.
文摘In situ growth of co-catalysts on BiVO_(4)(BVO)to enhance photoelectrochemical(PEC)water splitting performance has been extensively reported.However,the understanding of the synergistic effects among various elements,especially at the interface between the semiconductor and cocatalyst,has received insufficient attention.In this study,we report a Co,Ni and Mn trimetallic fluoride-modified BVO photoanode featuring a unique interfacial chemical bond(V-F).Under AM 1.5 G illumination,an exciting photocurrent density of 6.05 mA cm^(-2)was achieved at 1.23 V vs.RHE by the integrated BVO/CoNi_(0.18)Mn_(0.12)(OH)_(x)F photoanode and over 98%of the initial photocurrent was maintained after 10 h of photoelectrolysis.Control experiments and theoretical calculations demonstrate that the V-F interfacial bond stabilizes the Co^(2+)active sites.It serves as a transmission gear,interlinking the migration of interfacial charge and the regeneration of cocatalyst,endowing the photoanode with significant activity and stability.Furthermore,we have systematically elucidated the role of the individual Co,Ni,and Mn components in the synergistic cocatalyst layer.The interfacial modification provides novel insights into developing advanced photoanodes towards PEC water splitting.
