Temperature-programmed desorption(TPD)is a fundamental technique in surface science and heterogeneous catalysis for characterizing adsorption behavior,and for extracting key parameters such as adsorption energy.Howeve...Temperature-programmed desorption(TPD)is a fundamental technique in surface science and heterogeneous catalysis for characterizing adsorption behavior,and for extracting key parameters such as adsorption energy.However,the majority of existing TPD data is accessible in the form of published images,which lacks structured and quantitative datasets.This constrains its utility for rigorous quantitative analysis and computational modelling.Using carbon monoxide(CO)which is a widely adopted probe molecule,a curated and standardized dataset of CO-TPD is constructed,encompassing 14 transition-metal single-crystal surfaces,including copper(Cu)and ruthenium(Ru).By systematically extracting numerical data points from published spectra and applying normalization,essential spectral features such as peak shape are fully preserved.The dataset also documents relevant experimental parameters,including heating rates,and was developed using a standardized protocol for data collection and quality control.This resource serves as both a reference library to support the deconvolution of TPD spectra from complex catalysts and an experimental benchmark for calibrating parameters in theoretical models.By providing a reliable and accessible data function,this work advances the microscopic understanding and the rational design of catalyst active centers.展开更多
Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for ca...Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for catalyst design and performance improvement in these applications.In this work,we systematically investigate the HPOR/HPRR mechanisms on low-index Pt surfaces,specifically Pt(111),Pt(100)and Pt(110),through density functional theory(DFT)calculations combined with the computational hydrogen electrode(CHE)model.For HPOR,all the low-index Pt surfaces exhibit a unified potential-determining step(PDS)involving the electrochemical oxidation of hydroperoxyl intermediates(HOO*).The binding free energy of HOO*(Δ_(GHOO*))emerges as an activity descriptor,with Pt(110)exhibiting the highest HPOR activity.The HPRR mechanism follows a chem-electrochemical(C-EC)pathway.The rate-determining step(RDS)of HPRR is either the cleavage of the HO-OH bond(chemical)or the reduction of HO(electrochemical),depending on their respective activation energies.These activation energies are functions of the HO*binding free energy,Δ_(GHO*),establishingΔ_(GHO*)as the descriptor for HPRR activity prediction.Pt(111)and Pt(100)are identified as the most active HPRR catalysts among the studied metal surfaces,although they still experience a significant overpotential.The scaling relationship betweenΔ_(GHOO*)andΔ_(GHO*)reveals a thermodynamic coupling of HPOR and HPRR,explaining their occurrence on Pt surfaces.These findings provide important insights and activity descriptors for both HPOR and HPRR,providing valuable guidance for the design of electrocatalysts in H_(2)O_(2)-related energy applications and fuel cells.展开更多
With increasing awareness of myopia control,various preventive methods have been developed.In recent decades,a range of specialized spectacle lenses utilizing optical interventions has been manufactured and widely ado...With increasing awareness of myopia control,various preventive methods have been developed.In recent decades,a range of specialized spectacle lenses utilizing optical interventions has been manufactured and widely adopted for myopia management.However,the underlying optical mechanisms of these lenses remain unclear,and there is a lack of simulation methods for pre-manufacturing analysis.Meanwhile,the structures of these lenses are becoming increasingly complex,even incorporating an aspheric segment array on a curved base.To address these challenges,we have developed an efficient,accurate,and flexible modeling method for simulating such lenses,along with an experimental setup for validation.We provide deeper insights into the optical mechanisms of these lenses and establish a convenient design framework that facilitates the development of optimized lens structures.展开更多
Ambient energy harvesting from various renewable sources,including solar,thermal,wave,droplet,wind,and biomechanical energy,presents a promising solution for sustainable power generation and battery-free Internet of T...Ambient energy harvesting from various renewable sources,including solar,thermal,wave,droplet,wind,and biomechanical energy,presents a promising solution for sustainable power generation and battery-free Internet of Things networks.However,these technologies face significant challenges in energy conversion efficiency and device durability due to environmental factors such as surface contamination,moisture accumulation,and biofouling.Superhydrophobic surfaces address these limitations through their unique properties of self-cleaning,water-repellent,and anti-bacterial,significantly enhancing energy harvesting performance and reliability.This review systematically summarizes recent advances in superhydrophobic surface-enhanced energy harvesting devices based on various mechanisms,including photovoltaics,electromagnetism,piezoelectricity,triboelectricity,thermoelectricity,and electrical double-layer dynamics.We first provide an updated overview of superhydrophobic surfaces,including their design strategies and fabrication methods.Then,we offer a comprehensive summary of their role in optimizing various energy harvesting devices.Finally,we discuss prospective challenges,potential solutions,and recommendations for future developments within this emerging interdisciplinary field.展开更多
As one of the lightest engineering materials,magnesium(Mg)alloy possesses excellent mechanical performance,meeting the needs of versatile engineering fields and holding the potential to address cutting-edge issues in ...As one of the lightest engineering materials,magnesium(Mg)alloy possesses excellent mechanical performance,meeting the needs of versatile engineering fields and holding the potential to address cutting-edge issues in aerospace,electronics,biomedicine.The design of superhydrophobic(SHB)surfaces with micro and nanostructures can endow Mg alloys with multiple functionalities,such as self-cleaning,self-healing,antibacterial,and corrosion resistance.Over the past decade,researchers have drawn inspiration from nature to implement biomimetic design principles,resulting in the rapid development of micro/nanostructured SHB surfaces on Mg alloys,which hold great promise for biomedical applications.This review comprehensively introduces the biomimetic design principles of micro/nanostructured SHB surfaces on Mg alloys,discusses the challenges along with advantages and disadvantages of current preparation methods,and explores the future perspectives for preparing these SHB surfaces,providing strategies to enhance their performance in biomedical applications.展开更多
In recent decades,capacitive pressure sensors(CPSs)with high sensitivity have demonstrated significant potential in applications such as medical monitoring,artificial intelligence,and soft robotics.Efforts to enhance ...In recent decades,capacitive pressure sensors(CPSs)with high sensitivity have demonstrated significant potential in applications such as medical monitoring,artificial intelligence,and soft robotics.Efforts to enhance this sensitivity have predominantly focused on material design and structural optimization,with surface microstructures such as wrinkles,pyramids,and micro-pillars proving effective.Although finite element modeling(FEM)has guided enhancements in CPS sensitivity across various surface designs,a theoretical understanding of sensitivity improvements remains underexplored.This paper employs sinusoidal wavy surfaces as a representative model to analytically elucidate the underlying mechanisms of sensitivity enhancement through contact mechanics.These theoretical insights are corroborated by FEM and experimental validations.Our findings underscore that optimizing material properties,such as Young’s modulus and relative permittivity,alongside adjustments in surface roughness and substrate thickness,can significantly elevate the sensitivity.The optimal performance is achieved when the amplitude-to-wavelength ratio(H/)is about 0.2.These results offer critical insights for designing ultrasensitive CPS devices,paving the way for advancements in sensor technology.展开更多
The surface transfer doping model has been extensively adopted as a mechanism to account for the generation of hole accumulation layers below hydrogen-terminated diamond(H-diamond)surfaces.To achieve effective surface...The surface transfer doping model has been extensively adopted as a mechanism to account for the generation of hole accumulation layers below hydrogen-terminated diamond(H-diamond)surfaces.To achieve effective surface transfer doping,surface electron acceptor materials with high electron affinity(EA)are required to produce a high density of two-dimensional hole gas(2DHG)on the H-diamond subsurface.We have established ingenious theoretical models to demonstrate that even if these solid materials do not have a high EA value,they remain capable of absorbing electrons from the H-diamond surface by forming a negatively charged interface to act as a surface electron acceptor in the surface transfer doping model.Our calculations,particularly for the local density of states,provide compelling evidence that the effect of an interface with negative charges induces an upward band bending on the H-diamond side.Furthermore,the valence band maximum of the diamond atoms at the interface crosses the Fermi level,giving rise to strong surface transfer p-type doping.These results give a strong theoretical interpretation of the origin of 2DHG on H-diamond surfaces.The proposed guidelines contribute to further improvements in the performance of 2DHG H-diamond field effect transistors.展开更多
As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine properties.Fractal analysis has been used to characterize the shapes of metal...As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine properties.Fractal analysis has been used to characterize the shapes of metal materials at various scales and dimensions.Conventional methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and interfaces.However,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal materials.From the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear surfaces.The relationship between the fractal dimensions and properties of metal material surfaces and interfaces is summarized.Starting from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be developed.It is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.展开更多
The contact problem of deformed rough surfaces exists widely in complex engineering structures.How to reveal the influence mechanism of surface deformation on the contact properties is a key issue in evaluating the in...The contact problem of deformed rough surfaces exists widely in complex engineering structures.How to reveal the influence mechanism of surface deformation on the contact properties is a key issue in evaluating the interface performances of the engineering structures.In this paper,a contact model is established,which is suitable for tensile and bending deformed contact surfaces.Four contact forms of asperities are proposed,and their distribution characteristics are analyzed.This model reveals the mechanism of friction generation from the perspective of the force balance of asperity.The results show the contact behaviors of the deformed contact surface are significantly different from that of the plane contact,which is mainly reflected in the change in the number of contact asperities and the real contact area.This study suggests that the real contact area of the interface can be altered by applying tensile and bending strains,thereby regulating its contact mechanics and conductive behavior.展开更多
We deal with the properties of incompressible and pairwise incompressible surfaces in knot complements through the application of relevant properties of almost simple topological graphs.We analyze the topological grap...We deal with the properties of incompressible and pairwise incompressible surfaces in knot complements through the application of relevant properties of almost simple topological graphs.We analyze the topological graph invariants associated with surfaces embedded in the complements of alternating and almost alternating knots.Specifically,we prove that the characteristic numbers of these graphs remain invariant under two fundamental transformations(R-move and S^(2)-move).Leveraging the interplay between characteristic numbers and Euler characteristics,and further connecting Euler characteristics to surface genus,we derive novel results regarding the genus of incompressible pairwise incompressible surfaces.Additionally,we establish a discriminant criterion to determine when such surfaces in knot complements admit genus zero.展开更多
In this paper,we construct an efficient decoupling-type strategy for solving the Allen-Cahn equation on curved surfaces.It is based on an FEM-EIEQ(Finite Element Method and explicit-Invariant Energy Quadratization)ful...In this paper,we construct an efficient decoupling-type strategy for solving the Allen-Cahn equation on curved surfaces.It is based on an FEM-EIEQ(Finite Element Method and explicit-Invariant Energy Quadratization)fully discrete scheme with unconditional energy stability.Spatially the FEM is adopted,using a triangular mesh discretization strategy that can be adapted to complex regions.Temporally,the EIEQ approach is considered,which not only linearizes the nonlinear potential but also gives a new variable that we combine with the nonlocal splitting method to achieve the fully decoupled computation.The strategy can successfully transform the Allen-Cahn system into some completely independent algebraic equations and linear elliptic equations with constant coefficients,we only need to solve these simple equations at each time step.Moreover,we conducted some numerical experiments to demonstrate the effectiveness of the strategy.展开更多
In recent years,the study of chalcopyrite and pyrite flotation surfaces using computational chemistry methods has made significant progress.However,current computational methods are limited by the small size of their ...In recent years,the study of chalcopyrite and pyrite flotation surfaces using computational chemistry methods has made significant progress.However,current computational methods are limited by the small size of their systems and insufficient consideration of hydration and temperature effects,making it difficult to fully replicate the real flotation environment of chalcopyrite and pyrite.In this study,we employed the self-consistent charge density functional tight-binding(SCC-DFTB)parameterization method to develop a parameter set,CuFeOrg,which includes the interactions between Cu-Fe-C-H-O-N-S-P-Zn elements,to investigate the surface interactions in large-scale flotation systems of chalcopyrite and pyrite.The results of bulk modulus,atomic displacement,band structure,surface relaxation,surface Mulliken charge distribution,and adsorption tests of typical flotation reagents on mineral surfaces demonstrate that CuFeOrg achieves DFT-level accuracy while significantly outperforming DFT in computational efficiency.By constructing large-scale hydration systems of mineral surfaces,as well as large-scale systems incorporating the combined interactions of mineral surfaces,flotation reagents,and hydration,we more realistically reproduce the actual flotation environment.Furthermore,the dynamic analysis results are consistent with mineral surface contact angle experiments.Additionally,CuFeOrg lays the foundation for future studies of more complex and diverse chalcopyrite and pyrite flotation surface systems.展开更多
Dear Editor,As the Internet of things(IoT)and autonomous driving continue to evolve,positioning technology faces increasing demands for higher accuracy and reliability.Traditional positioning methods often struggle in...Dear Editor,As the Internet of things(IoT)and autonomous driving continue to evolve,positioning technology faces increasing demands for higher accuracy and reliability.Traditional positioning methods often struggle in complex signal environments with multipath interference and non-line-of-sight(NLOS)conditions.Reconfigurable intelligent surfaces(RIS),an innovative technology that can flexibly control signal propagation,offer new possibilities for positioning systems.展开更多
Functional materials synthesized from bio-based building blocks are fascinating and challenging in the fields of chemistry and materials science.Herein,we present a versatile strategy for synthesizing bio-based stimul...Functional materials synthesized from bio-based building blocks are fascinating and challenging in the fields of chemistry and materials science.Herein,we present a versatile strategy for synthesizing bio-based stimulus-responsive polymers derived from itaconic acid(IA).Bearing an azobenzene-containing side chain,the IA-based epoxy polymer exhibited both photoresponsiveness and acid/base-stimulus responsiveness.With controllable manipulation of the stress field of the wrinkling IA-polymer film via the stress relaxation effect resulting from the reversible cis-trans isomerization of the azobenzene moieties or solvent-induced swelling of the film,various tailor-made patterned wrinkling surfaces were conveniently fabricated.More importantly,the azobenzene protonation/deprotonation yields a reversible visual color transformation between pale yellow and purple in the film,which allows these IA-based polymer-coated surfaces to be utilized as rewritable information storage media.Various elegant pattern information can be acid-printed and base-erased(within 10 s)for multiple cycles and legible for over one day under laboratory conditions.Notably,the aforementioned dual-stimulus responsiveness of the IA-based polymer film enables its surface to be applied in information encryption.This study not only paves a new avenue for the convenient fabrication of stimulus-responsive surfaces but also sheds light on the development of functional polymers through green engineering.展开更多
The adsorption properties of a magnesium porphyrin(MgP)molecule on Au(111)surface covered with up to three lay-ers of sodium chloride(NaCl)were investigated by means of first-principles calculations.The most stable ad...The adsorption properties of a magnesium porphyrin(MgP)molecule on Au(111)surface covered with up to three lay-ers of sodium chloride(NaCl)were investigated by means of first-principles calculations.The most stable adsorption configuration of MgP on the NaCl/Au(111)heterosurfaces was found to be at the Cl-top site with a 20°angle between the[110]lattice direction of NaCl and the Mg–N bond of the molecule.Compared with MgP molecule adsorbed on bare Au(111),the inclusion of NaCl lay-ers can lead to a significant decrease in the adsorption energy of the MgP molecule.The exis-tence of NaCl layers also reduced the charge transfer between the molecule and the surface.For heterosurfaces with two or three monolayers of NaCl,the charge transfer was almost com-pletely suppressed.The obtained partial density of states(PDOS)showed that hybridization between the electronic structures of the adsorbed MgP molecule and the metal surface can be significantly suppressed when NaCl layers were added.For the heterosurface with three lay-ers of NaCl,the PDOS around the Fermi level was almost identical with that of the free molecule,suggesting the electronic structure of the MgP molecule was nicely preserved.Influ-ence of the NaCl layers on the electronic structure of the MgP molecule was mainly found for molecular orbitals(MOs)away from the Fermi level as a result of the large band gap of the NaCl layers.展开更多
On-demand droplet manipulation plays a critical role in microfluidics,bio/chemical detection and microreactions.Acoustic droplet manipulation has emerged as a promising technique due to its non-contact nature,biocompa...On-demand droplet manipulation plays a critical role in microfluidics,bio/chemical detection and microreactions.Acoustic droplet manipulation has emerged as a promising technique due to its non-contact nature,biocompatibility and precision,circumventing the complexities associated with other methods requiring surface or droplet pretreatment.Despite their promise,existing methods for acoustic droplet manipulation often involve complex hardware setups and difficulty for controlling individual droplet amidst multiple ones.Here we fabricate simple yet effective acoustic tweezers for in-surface and out-of-surface droplet manipulation.It is found that droplets can be transported on the superhydrophobic surfaces when the acoustic radiation force surpasses the friction force.Using a two-axis acoustic tweezer,droplets can be maneuvered along arbitrarily programmed paths on the surfaces.By introducing multiple labyrinthine structures on the superhydrophobic surface,individual droplet manipulation is realized by constraining the unselected droplets in the labyrinthine structures.In addition,a three-axis acoustic tweezer is developed for manipulating droplets in three-dimensional space.Potential applications of the acoustic tweezers for micro-reaction,bio-assay and chemical analysis are also demonstrated.展开更多
Biomass-derived carbon materials are favored for their abundance and sustainability,and ease of preparation and modification.By surface activation and modification they can have a good electrical conductivity,excellen...Biomass-derived carbon materials are favored for their abundance and sustainability,and ease of preparation and modification.By surface activation and modification they can have a good electrical conductivity,excellent catalytic activity,a remarkable adsorption capacity,and different interfacial physicochemical functionalities.Surface-modified biochars have found wide applications in energy storage,environmental remediation,and catalysis.However,achieving precise and controllable modification of their active sites remains a challenge.Recent advances and future prospects for controlling their surface morphology,defect engineering,and surface coating strategies,with particular attention to their means of fabrication,are reviewed.展开更多
This review systematically summarizes recent advancements in the design of antibacterial hydrogels and the surface-related factors influencing microbial adhesion to polymeric materials.Hydrogels,characterized by their...This review systematically summarizes recent advancements in the design of antibacterial hydrogels and the surface-related factors influencing microbial adhesion to polymeric materials.Hydrogels,characterized by their three-dimensional porous architecture and ultra-high water content,serve as ideal platforms for incorporating antibacterial agents(e.g.,metal ions,natural polymers)through physical/chemical interactions,enabling sustained release and enhanced antibacterial efficacy.For traditional polymers,surface properties(e.g.,roughness,charge,superhydrophobicity,free energy,nanoforce gradients)play critical roles in microbial adhesion.Modifying the surface properties of polymers through surface treatment can regulate antibacterial performance.In particular,by referencing the micro/nanostructures found on natural surfaces such as lotus leaves and cicada wings,antibacterial surfaces with multiple superior functions can be fabricated.Collectively,these findings provide a theoretical basis for the rational design of multifunctional antibacterial materials,offering material-based solutions to address complex infection scenarios and advance infection management strategies.展开更多
The debate on the effect of roughness on adhesion is crucial and open yet in contact mechanics.However,exploring the adhesive contact mechanisms of three-dimensional randomly rough surfaces coupling with elastic–plas...The debate on the effect of roughness on adhesion is crucial and open yet in contact mechanics.However,exploring the adhesive contact mechanisms of three-dimensional randomly rough surfaces coupling with elastic–plastic behaviors seems blank.This work first provides a comprehensive finite element method for analyzing the adhesive contact of three-dimensional randomly Weibull rough surfaces based on the Derjaguin approximation and the Lennard–Jones potential.The results demonstrate that roughness kills adhesion due to the contribution of inhomogeneous attractions and even repulsions.The adhesion diminishes as the scale parameter increases,the shape parameter decreases,or the thermodynamic work of adhesion decreases.Furthermore,the relationship between the decrement of pull-off force and RMS roughness is quantitatively formulated by introducing a correction parameter as a preliminary attempt from the numerical view for the open debate.展开更多
An efficient on-chip platform for generating customizable vectorial optical fields is crucial and highly-pursued.While on-chip metasurfaces have opened up avenues for multi-functional coupling from on-chip surface wav...An efficient on-chip platform for generating customizable vectorial optical fields is crucial and highly-pursued.While on-chip metasurfaces have opened up avenues for multi-functional coupling from on-chip surface wave to free-space propagating wave,they typically encounter the trade-off between extraction efficiency and wavefront accuracy.Recently,Prof.Lei Zhou’s group pioneered a strategy employing geometric metal meta-atoms with low polarization conversion ratio to overcome this bottleneck and experimentally demonstrated generation of pre-designed terahertz vector beams with efficiency exceeding 90%.This approach establishes a generic,high-performance framework for advanced on-chip meta-devices.展开更多
基金Supported by the Robotic AI-Scientist Platform of Chinese Academy of SciencesNational Natural Science Foundation of China(22372185)+2 种基金Youth Talent Development Program of SKLCC(2025BWZ009)Natural Science Foundation of Shanxi Province(202203021221219)Research on the Construction of Scientific and Technological Innovation Think Tank of Shanxi Association for Science and Technology(KXKT202542)。
文摘Temperature-programmed desorption(TPD)is a fundamental technique in surface science and heterogeneous catalysis for characterizing adsorption behavior,and for extracting key parameters such as adsorption energy.However,the majority of existing TPD data is accessible in the form of published images,which lacks structured and quantitative datasets.This constrains its utility for rigorous quantitative analysis and computational modelling.Using carbon monoxide(CO)which is a widely adopted probe molecule,a curated and standardized dataset of CO-TPD is constructed,encompassing 14 transition-metal single-crystal surfaces,including copper(Cu)and ruthenium(Ru).By systematically extracting numerical data points from published spectra and applying normalization,essential spectral features such as peak shape are fully preserved.The dataset also documents relevant experimental parameters,including heating rates,and was developed using a standardized protocol for data collection and quality control.This resource serves as both a reference library to support the deconvolution of TPD spectra from complex catalysts and an experimental benchmark for calibrating parameters in theoretical models.By providing a reliable and accessible data function,this work advances the microscopic understanding and the rational design of catalyst active centers.
基金Supported by the Shanxi Province Grant(202203021212007,2023SHB003).
文摘Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for catalyst design and performance improvement in these applications.In this work,we systematically investigate the HPOR/HPRR mechanisms on low-index Pt surfaces,specifically Pt(111),Pt(100)and Pt(110),through density functional theory(DFT)calculations combined with the computational hydrogen electrode(CHE)model.For HPOR,all the low-index Pt surfaces exhibit a unified potential-determining step(PDS)involving the electrochemical oxidation of hydroperoxyl intermediates(HOO*).The binding free energy of HOO*(Δ_(GHOO*))emerges as an activity descriptor,with Pt(110)exhibiting the highest HPOR activity.The HPRR mechanism follows a chem-electrochemical(C-EC)pathway.The rate-determining step(RDS)of HPRR is either the cleavage of the HO-OH bond(chemical)or the reduction of HO(electrochemical),depending on their respective activation energies.These activation energies are functions of the HO*binding free energy,Δ_(GHO*),establishingΔ_(GHO*)as the descriptor for HPRR activity prediction.Pt(111)and Pt(100)are identified as the most active HPRR catalysts among the studied metal surfaces,although they still experience a significant overpotential.The scaling relationship betweenΔ_(GHOO*)andΔ_(GHO*)reveals a thermodynamic coupling of HPOR and HPRR,explaining their occurrence on Pt surfaces.These findings provide important insights and activity descriptors for both HPOR and HPRR,providing valuable guidance for the design of electrocatalysts in H_(2)O_(2)-related energy applications and fuel cells.
基金supported by the National Natural Science Foundation of China(Grant No.62475015)。
文摘With increasing awareness of myopia control,various preventive methods have been developed.In recent decades,a range of specialized spectacle lenses utilizing optical interventions has been manufactured and widely adopted for myopia management.However,the underlying optical mechanisms of these lenses remain unclear,and there is a lack of simulation methods for pre-manufacturing analysis.Meanwhile,the structures of these lenses are becoming increasingly complex,even incorporating an aspheric segment array on a curved base.To address these challenges,we have developed an efficient,accurate,and flexible modeling method for simulating such lenses,along with an experimental setup for validation.We provide deeper insights into the optical mechanisms of these lenses and establish a convenient design framework that facilitates the development of optimized lens structures.
基金supported by the National Natural Science Foundation of China(62404081)Guangdong Basic and Applied Basic Research Foundation(2024A1515011907)Xiaomi Young Talents Program.
文摘Ambient energy harvesting from various renewable sources,including solar,thermal,wave,droplet,wind,and biomechanical energy,presents a promising solution for sustainable power generation and battery-free Internet of Things networks.However,these technologies face significant challenges in energy conversion efficiency and device durability due to environmental factors such as surface contamination,moisture accumulation,and biofouling.Superhydrophobic surfaces address these limitations through their unique properties of self-cleaning,water-repellent,and anti-bacterial,significantly enhancing energy harvesting performance and reliability.This review systematically summarizes recent advances in superhydrophobic surface-enhanced energy harvesting devices based on various mechanisms,including photovoltaics,electromagnetism,piezoelectricity,triboelectricity,thermoelectricity,and electrical double-layer dynamics.We first provide an updated overview of superhydrophobic surfaces,including their design strategies and fabrication methods.Then,we offer a comprehensive summary of their role in optimizing various energy harvesting devices.Finally,we discuss prospective challenges,potential solutions,and recommendations for future developments within this emerging interdisciplinary field.
基金supported by the National Natural Science Found for Distinguished Young Scholars(52225101)the Fundamental Research Funds for the Central Universities(WUT:104972024RSCbs0018 and 2023CDJYXTD-002)+1 种基金the Natural Science Foundation of Chongqing(CSTB2023NSCQ-MSX0527)the Chongqing Academician Special Fund(2022YSZXJCX0014CSTB).
文摘As one of the lightest engineering materials,magnesium(Mg)alloy possesses excellent mechanical performance,meeting the needs of versatile engineering fields and holding the potential to address cutting-edge issues in aerospace,electronics,biomedicine.The design of superhydrophobic(SHB)surfaces with micro and nanostructures can endow Mg alloys with multiple functionalities,such as self-cleaning,self-healing,antibacterial,and corrosion resistance.Over the past decade,researchers have drawn inspiration from nature to implement biomimetic design principles,resulting in the rapid development of micro/nanostructured SHB surfaces on Mg alloys,which hold great promise for biomedical applications.This review comprehensively introduces the biomimetic design principles of micro/nanostructured SHB surfaces on Mg alloys,discusses the challenges along with advantages and disadvantages of current preparation methods,and explores the future perspectives for preparing these SHB surfaces,providing strategies to enhance their performance in biomedical applications.
基金supported by the National Natural Science Foundation of China(Grant No.12272369)the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB0620101).
文摘In recent decades,capacitive pressure sensors(CPSs)with high sensitivity have demonstrated significant potential in applications such as medical monitoring,artificial intelligence,and soft robotics.Efforts to enhance this sensitivity have predominantly focused on material design and structural optimization,with surface microstructures such as wrinkles,pyramids,and micro-pillars proving effective.Although finite element modeling(FEM)has guided enhancements in CPS sensitivity across various surface designs,a theoretical understanding of sensitivity improvements remains underexplored.This paper employs sinusoidal wavy surfaces as a representative model to analytically elucidate the underlying mechanisms of sensitivity enhancement through contact mechanics.These theoretical insights are corroborated by FEM and experimental validations.Our findings underscore that optimizing material properties,such as Young’s modulus and relative permittivity,alongside adjustments in surface roughness and substrate thickness,can significantly elevate the sensitivity.The optimal performance is achieved when the amplitude-to-wavelength ratio(H/)is about 0.2.These results offer critical insights for designing ultrasensitive CPS devices,paving the way for advancements in sensor technology.
基金supported by the National Nat-ural Science Foundation of China(Nos.62174122,U2241244,and 52302046)Major Program(JD)of Hubei Province(No.2023BAA008)+2 种基金the Fundamental Research Funds for the Central Universities(Nos.2042023kf0116 and 2042023kf1041)the Guangdong Basic and Applied Basic Research Foundation(Nos.2024A1515011764 and 2024A1515010383)the Open Fund of Hubei Key Laboratory of Electronic Manufacturing and Packaging Integration(Wuhan University)(No.EMPI2023016).
文摘The surface transfer doping model has been extensively adopted as a mechanism to account for the generation of hole accumulation layers below hydrogen-terminated diamond(H-diamond)surfaces.To achieve effective surface transfer doping,surface electron acceptor materials with high electron affinity(EA)are required to produce a high density of two-dimensional hole gas(2DHG)on the H-diamond subsurface.We have established ingenious theoretical models to demonstrate that even if these solid materials do not have a high EA value,they remain capable of absorbing electrons from the H-diamond surface by forming a negatively charged interface to act as a surface electron acceptor in the surface transfer doping model.Our calculations,particularly for the local density of states,provide compelling evidence that the effect of an interface with negative charges induces an upward band bending on the H-diamond side.Furthermore,the valence band maximum of the diamond atoms at the interface crosses the Fermi level,giving rise to strong surface transfer p-type doping.These results give a strong theoretical interpretation of the origin of 2DHG on H-diamond surfaces.The proposed guidelines contribute to further improvements in the performance of 2DHG H-diamond field effect transistors.
基金financially supported by the National Key R&D Program of China(No.2022YFE0121300)the National Natural Science Foundation of China(No.52374376)the Introduction Plan for High-end Foreign Experts(No.G2023105001L)。
文摘As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine properties.Fractal analysis has been used to characterize the shapes of metal materials at various scales and dimensions.Conventional methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and interfaces.However,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal materials.From the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear surfaces.The relationship between the fractal dimensions and properties of metal material surfaces and interfaces is summarized.Starting from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be developed.It is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.
基金This work are supported by the Natural Science Foundation of China General Program(Grant No.12272157)the Natural Science Foundation of China Major Program(Grant No.12327901)+1 种基金the Fundamental Research Funds for the Central Universities(Grant No.lzujbky-2023-ey05)the 111 Project(Grant No.B14044).
文摘The contact problem of deformed rough surfaces exists widely in complex engineering structures.How to reveal the influence mechanism of surface deformation on the contact properties is a key issue in evaluating the interface performances of the engineering structures.In this paper,a contact model is established,which is suitable for tensile and bending deformed contact surfaces.Four contact forms of asperities are proposed,and their distribution characteristics are analyzed.This model reveals the mechanism of friction generation from the perspective of the force balance of asperity.The results show the contact behaviors of the deformed contact surface are significantly different from that of the plane contact,which is mainly reflected in the change in the number of contact asperities and the real contact area.This study suggests that the real contact area of the interface can be altered by applying tensile and bending strains,thereby regulating its contact mechanics and conductive behavior.
基金Supported by the National Natural Science Foundation of China(Grant No.12026411)。
文摘We deal with the properties of incompressible and pairwise incompressible surfaces in knot complements through the application of relevant properties of almost simple topological graphs.We analyze the topological graph invariants associated with surfaces embedded in the complements of alternating and almost alternating knots.Specifically,we prove that the characteristic numbers of these graphs remain invariant under two fundamental transformations(R-move and S^(2)-move).Leveraging the interplay between characteristic numbers and Euler characteristics,and further connecting Euler characteristics to surface genus,we derive novel results regarding the genus of incompressible pairwise incompressible surfaces.Additionally,we establish a discriminant criterion to determine when such surfaces in knot complements admit genus zero.
基金Supported by the National Natural Science Foundation of China(Grant No.12171147).
文摘In this paper,we construct an efficient decoupling-type strategy for solving the Allen-Cahn equation on curved surfaces.It is based on an FEM-EIEQ(Finite Element Method and explicit-Invariant Energy Quadratization)fully discrete scheme with unconditional energy stability.Spatially the FEM is adopted,using a triangular mesh discretization strategy that can be adapted to complex regions.Temporally,the EIEQ approach is considered,which not only linearizes the nonlinear potential but also gives a new variable that we combine with the nonlocal splitting method to achieve the fully decoupled computation.The strategy can successfully transform the Allen-Cahn system into some completely independent algebraic equations and linear elliptic equations with constant coefficients,we only need to solve these simple equations at each time step.Moreover,we conducted some numerical experiments to demonstrate the effectiveness of the strategy.
基金supported by the National Natural Science Foundation of China(No.52374264)the National Key Technologies Research and Development Program of China(No.2024YFC2909600)the Major Science and Technology Projects in Yunnan Province(No.202402AB080010).
文摘In recent years,the study of chalcopyrite and pyrite flotation surfaces using computational chemistry methods has made significant progress.However,current computational methods are limited by the small size of their systems and insufficient consideration of hydration and temperature effects,making it difficult to fully replicate the real flotation environment of chalcopyrite and pyrite.In this study,we employed the self-consistent charge density functional tight-binding(SCC-DFTB)parameterization method to develop a parameter set,CuFeOrg,which includes the interactions between Cu-Fe-C-H-O-N-S-P-Zn elements,to investigate the surface interactions in large-scale flotation systems of chalcopyrite and pyrite.The results of bulk modulus,atomic displacement,band structure,surface relaxation,surface Mulliken charge distribution,and adsorption tests of typical flotation reagents on mineral surfaces demonstrate that CuFeOrg achieves DFT-level accuracy while significantly outperforming DFT in computational efficiency.By constructing large-scale hydration systems of mineral surfaces,as well as large-scale systems incorporating the combined interactions of mineral surfaces,flotation reagents,and hydration,we more realistically reproduce the actual flotation environment.Furthermore,the dynamic analysis results are consistent with mineral surface contact angle experiments.Additionally,CuFeOrg lays the foundation for future studies of more complex and diverse chalcopyrite and pyrite flotation surface systems.
基金supported by the Open Fund Project of Key Laboratory of Ocean Observation Technology,MNR(2023klootA01).
文摘Dear Editor,As the Internet of things(IoT)and autonomous driving continue to evolve,positioning technology faces increasing demands for higher accuracy and reliability.Traditional positioning methods often struggle in complex signal environments with multipath interference and non-line-of-sight(NLOS)conditions.Reconfigurable intelligent surfaces(RIS),an innovative technology that can flexibly control signal propagation,offer new possibilities for positioning systems.
基金supported by the Natural Science Foundation of Shandong Province(No.ZR2022MB034)。
文摘Functional materials synthesized from bio-based building blocks are fascinating and challenging in the fields of chemistry and materials science.Herein,we present a versatile strategy for synthesizing bio-based stimulus-responsive polymers derived from itaconic acid(IA).Bearing an azobenzene-containing side chain,the IA-based epoxy polymer exhibited both photoresponsiveness and acid/base-stimulus responsiveness.With controllable manipulation of the stress field of the wrinkling IA-polymer film via the stress relaxation effect resulting from the reversible cis-trans isomerization of the azobenzene moieties or solvent-induced swelling of the film,various tailor-made patterned wrinkling surfaces were conveniently fabricated.More importantly,the azobenzene protonation/deprotonation yields a reversible visual color transformation between pale yellow and purple in the film,which allows these IA-based polymer-coated surfaces to be utilized as rewritable information storage media.Various elegant pattern information can be acid-printed and base-erased(within 10 s)for multiple cycles and legible for over one day under laboratory conditions.Notably,the aforementioned dual-stimulus responsiveness of the IA-based polymer film enables its surface to be applied in information encryption.This study not only paves a new avenue for the convenient fabrication of stimulus-responsive surfaces but also sheds light on the development of functional polymers through green engineering.
基金supported by the National Natural Science Foundation of China(No.22373084,No.62201494)Hebei Natural Science Foundation(B2022203007)the Cultivation Project for Basic Research and Innovation of Yanshan University(2024LGZD002).
文摘The adsorption properties of a magnesium porphyrin(MgP)molecule on Au(111)surface covered with up to three lay-ers of sodium chloride(NaCl)were investigated by means of first-principles calculations.The most stable adsorption configuration of MgP on the NaCl/Au(111)heterosurfaces was found to be at the Cl-top site with a 20°angle between the[110]lattice direction of NaCl and the Mg–N bond of the molecule.Compared with MgP molecule adsorbed on bare Au(111),the inclusion of NaCl lay-ers can lead to a significant decrease in the adsorption energy of the MgP molecule.The exis-tence of NaCl layers also reduced the charge transfer between the molecule and the surface.For heterosurfaces with two or three monolayers of NaCl,the charge transfer was almost com-pletely suppressed.The obtained partial density of states(PDOS)showed that hybridization between the electronic structures of the adsorbed MgP molecule and the metal surface can be significantly suppressed when NaCl layers were added.For the heterosurface with three lay-ers of NaCl,the PDOS around the Fermi level was almost identical with that of the free molecule,suggesting the electronic structure of the MgP molecule was nicely preserved.Influ-ence of the NaCl layers on the electronic structure of the MgP molecule was mainly found for molecular orbitals(MOs)away from the Fermi level as a result of the large band gap of the NaCl layers.
基金supported by National Natural Science Foundation of China(Nos.12072381,22072185,21805315)Guangdong Basic and Applied Basic Research Foundation(No.2024A1515011812)Science and Technology Innovation Project of Guangzhou(No.202102020263).
文摘On-demand droplet manipulation plays a critical role in microfluidics,bio/chemical detection and microreactions.Acoustic droplet manipulation has emerged as a promising technique due to its non-contact nature,biocompatibility and precision,circumventing the complexities associated with other methods requiring surface or droplet pretreatment.Despite their promise,existing methods for acoustic droplet manipulation often involve complex hardware setups and difficulty for controlling individual droplet amidst multiple ones.Here we fabricate simple yet effective acoustic tweezers for in-surface and out-of-surface droplet manipulation.It is found that droplets can be transported on the superhydrophobic surfaces when the acoustic radiation force surpasses the friction force.Using a two-axis acoustic tweezer,droplets can be maneuvered along arbitrarily programmed paths on the surfaces.By introducing multiple labyrinthine structures on the superhydrophobic surface,individual droplet manipulation is realized by constraining the unselected droplets in the labyrinthine structures.In addition,a three-axis acoustic tweezer is developed for manipulating droplets in three-dimensional space.Potential applications of the acoustic tweezers for micro-reaction,bio-assay and chemical analysis are also demonstrated.
文摘Biomass-derived carbon materials are favored for their abundance and sustainability,and ease of preparation and modification.By surface activation and modification they can have a good electrical conductivity,excellent catalytic activity,a remarkable adsorption capacity,and different interfacial physicochemical functionalities.Surface-modified biochars have found wide applications in energy storage,environmental remediation,and catalysis.However,achieving precise and controllable modification of their active sites remains a challenge.Recent advances and future prospects for controlling their surface morphology,defect engineering,and surface coating strategies,with particular attention to their means of fabrication,are reviewed.
基金supported by Science and Technology Plan of Luzhou under Grant No.2024JYJ039.
文摘This review systematically summarizes recent advancements in the design of antibacterial hydrogels and the surface-related factors influencing microbial adhesion to polymeric materials.Hydrogels,characterized by their three-dimensional porous architecture and ultra-high water content,serve as ideal platforms for incorporating antibacterial agents(e.g.,metal ions,natural polymers)through physical/chemical interactions,enabling sustained release and enhanced antibacterial efficacy.For traditional polymers,surface properties(e.g.,roughness,charge,superhydrophobicity,free energy,nanoforce gradients)play critical roles in microbial adhesion.Modifying the surface properties of polymers through surface treatment can regulate antibacterial performance.In particular,by referencing the micro/nanostructures found on natural surfaces such as lotus leaves and cicada wings,antibacterial surfaces with multiple superior functions can be fabricated.Collectively,these findings provide a theoretical basis for the rational design of multifunctional antibacterial materials,offering material-based solutions to address complex infection scenarios and advance infection management strategies.
文摘The debate on the effect of roughness on adhesion is crucial and open yet in contact mechanics.However,exploring the adhesive contact mechanisms of three-dimensional randomly rough surfaces coupling with elastic–plastic behaviors seems blank.This work first provides a comprehensive finite element method for analyzing the adhesive contact of three-dimensional randomly Weibull rough surfaces based on the Derjaguin approximation and the Lennard–Jones potential.The results demonstrate that roughness kills adhesion due to the contribution of inhomogeneous attractions and even repulsions.The adhesion diminishes as the scale parameter increases,the shape parameter decreases,or the thermodynamic work of adhesion decreases.Furthermore,the relationship between the decrement of pull-off force and RMS roughness is quantitatively formulated by introducing a correction parameter as a preliminary attempt from the numerical view for the open debate.
基金support by the National Natural Science Foundation of China(Grant Nos.62325504,92250304,and 12174186)Dengfeng Project B of Nanjing University.
文摘An efficient on-chip platform for generating customizable vectorial optical fields is crucial and highly-pursued.While on-chip metasurfaces have opened up avenues for multi-functional coupling from on-chip surface wave to free-space propagating wave,they typically encounter the trade-off between extraction efficiency and wavefront accuracy.Recently,Prof.Lei Zhou’s group pioneered a strategy employing geometric metal meta-atoms with low polarization conversion ratio to overcome this bottleneck and experimentally demonstrated generation of pre-designed terahertz vector beams with efficiency exceeding 90%.This approach establishes a generic,high-performance framework for advanced on-chip meta-devices.
