Exploring effective iridium(Ir)-based electrocatalysts with stable iridium centers is highly desirable for oxygen evolution reaction(OER).Herein,we regulated the incorporation manner of Ir in Co_(3)O_(4)support to sta...Exploring effective iridium(Ir)-based electrocatalysts with stable iridium centers is highly desirable for oxygen evolution reaction(OER).Herein,we regulated the incorporation manner of Ir in Co_(3)O_(4)support to stabilize the Ir sites for effective OER.When anchored on the surface of Co_(3)O_(4)in the form of Ir(OH)_6 species,the created Ir-OH-Co interface leads to a limited stability and poor acidic OER due to Ir leaching.When doped into Co_(3)O_(4)lattice,the analyses of X-ray absorption spectroscopy,in-situ Raman,and OER measurements show that the partially replacement of Co in Co_(3)O_(4)by Ir atoms inclines to cause strong electronic effect and activate lattice oxygen in the presence of Ir-O-Co interface,and simultaneously master the reconstruction effect to mitigate Ir dissolution,realizing the improved OER activity and stability in alkaline and acidic environments.As a result,Ir_(lat)@Co_(3)O_(4)with Ir loading of 3.67 wt%requires 294±4 mV/285±3 mV and 326±2 mV to deliver 10 mA cm^(-2)in alkaline(0.1 M KOH/1.0 M KOH)and acidic(0.5 M H_(2)SO_(4))solution,respectively,with good stability.展开更多
Polymer-based composite electrolytes composed of three-dimensional Li_(6.4)La_(3)Zr_(2)Al_(0.2)O_(12)(3D-LLZAO)have attracted increasing attention due to their continuous ion conduction and satisfactory mechanical pro...Polymer-based composite electrolytes composed of three-dimensional Li_(6.4)La_(3)Zr_(2)Al_(0.2)O_(12)(3D-LLZAO)have attracted increasing attention due to their continuous ion conduction and satisfactory mechanical properties.However,the organic/inorganic interface is incompatible,resulting in slow lithium-ion transport at the interface.Therefore,the compatibility of organic/inorganic interface is an urgent problem to be solved.Inspired by the concept of“gecko eaves”,polymer-based composite solid electrolytes with dense interface structures were designed.The bridging of organic/inorganic interfaces was established by introducing silane coupling agent(3-chloropropyl)trimethoxysilane(CTMS)into the PEO-3D-LLZAO(PL)electrolyte.The in-situ coupling reaction improves the interface affinity,strengthens the organic/inorganic interaction,reduces the interface resistance,and thus achieves an efficient interface ion transport network.The prepared PEO-3D-LLZAO-CTMS(PLC)electrolyte exhibits enhanced ionic conductivity of 6.04×10^(-4)S cm^(-1)and high ion migration number(0.61)at 60℃and broadens the electrochemical window(5.1 V).At the same time,the PLC electrolyte has good thermal stability and high mechanical properties.Moreover,the Li Fe PO_(4)|PLC|Li battery has excellent rate performance and cycling stability with a capacity decay rate of 2.2%after 100 cycles at 60℃and 0.1 C.These advantages of PLC membranes indicate that this design approach is indeed practical,and the in-situ coupling method provides a new approach to address interface compatibility issues.展开更多
A mathematical model for the gas-water two-phase flow in tight gas reservoirs is elaborated.The model can account for the gas slip effect,stress sensitivity,and high-speed non-Darcy factors.The related equations are s...A mathematical model for the gas-water two-phase flow in tight gas reservoirs is elaborated.The model can account for the gas slip effect,stress sensitivity,and high-speed non-Darcy factors.The related equations are solved in the framework of a finite element method.The results are validated against those obtained by using the commercial software CMG(Computer Modeling Group software for advanced recovery process simulation).It is shown that the proposed method is reliable.It can capture the fracture rejection characteristics of tight gas reservoirs better than the CMG.A sensitivity analysis of various control factors(initial water saturation,reservoir parameters,and fracturing parameters)affecting the production in tight gas wells is conducted accordingly.Finally,a series of theoretical arguments are provided for a rational and effective development/exploitation of tight sandstone gas reservoirs.展开更多
The interfacial defects and energy barrier are main reasons for interfacial nonradiative recombination.In addition,poor perovskite crystallization and incomplete conversion of PbI_(2) to perovskite restrict further en...The interfacial defects and energy barrier are main reasons for interfacial nonradiative recombination.In addition,poor perovskite crystallization and incomplete conversion of PbI_(2) to perovskite restrict further enhancement of the photovoltaic performance of the devices using sequential deposition.Herein,a buried interface stabilization strategy that relies on the synergy of fluorine(F)and sulfonyl(S=O)functional groups is proposed.A series of potassium salts containing halide and non-halogen anions are employed to modify SnO_(2)/perovskite buried interface.Multiple chemical bonds including hydrogen bond,coordination bond and ionic bond are realized,which strengthens interfacial contact and defect passivation effect.The chemical interaction between modification molecules and perovskite along with SnO_(2) heightens incessantly as the number of S=O and F augments.The chemical interaction strength between modifiers and perovskite as well as SnO_(2) gradually increases with the increase in the number of S=O and F.The defect passivation effect is positively correlated with the chemical interaction strength.The crystallization kinetics is regulated through the compromise between chemical interaction strength and wettability of substrates.Compared with Cl−,all non-halogen anions perform better in crystallization optimization,energy band regulation and defect passivation.The device with potassium bis(fluorosulfonyl)imide achieves a tempting efficiency of 24.17%.展开更多
The sluggish kinetics of both hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)generate the large overpotential in water electrolysis and thus high-cost hydrogen production.Here,multidimensional nanop...The sluggish kinetics of both hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)generate the large overpotential in water electrolysis and thus high-cost hydrogen production.Here,multidimensional nanoporous interpenetrating-phase FeNiZn alloy and FeNi_(3)intermetallic heterostructure is in situ constructed on NiFe foam(FeNiZn/FeNi_(3)@NiFe)by dealloying protocol.Coupling with the eminent synergism among specific constituents and the highly efficient mass transport from integrated porous backbone,FeNiZn/FeNi_(3)@NiFe depicts exceptional bifunctional activities for water splitting with extremely low overpotentials toward OER and HER(η_(1000)=367/245 mV)as well as the robust durability during the 400 h testing in alkaline solution.The as-built water electrolyzer with FeNiZn/FeNi_(3)@NiFe as both anode and cathode exhibits record-high performances for sustainable hydrogen output in terms of much lower cell voltage of 1.759 and 1.919 V to deliver the current density of 500 and 1000 mA cm^(-2)as well long working lives.Density functional theory calculations disclose that the interface interaction between FeNiZn alloy and FeNi_(3)intermetallic generates the modulated electron structure state and optimized intermediate chemisorption,thus diminishing the energy barriers for hydrogen production in water splitting.With the merits of fine performances,scalable fabrication,and low cost,FeNiZn/FeNi_(3)@NiFe holds prospective application potential as the bifunctional electrocatalyst for water splitting.展开更多
While the rechargeable aqueous zinc-ion batteries(AZIBs)have been recognized as one of the most viable batteries for scale-up application,the instability on Zn anode–electrolyte interface bottleneck the further devel...While the rechargeable aqueous zinc-ion batteries(AZIBs)have been recognized as one of the most viable batteries for scale-up application,the instability on Zn anode–electrolyte interface bottleneck the further development dramatically.Herein,we utilize the amino acid glycine(Gly)as an electrolyte additive to stabilize the Zn anode–electrolyte interface.The unique interfacial chemistry is facilitated by the synergistic“anchor-capture”effect of polar groups in Gly molecule,manifested by simultaneously coupling the amino to anchor on the surface of Zn anode and the carboxyl to capture Zn^(2+)in the local region.As such,this robust anode–electrolyte interface inhibits the disordered migration of Zn^(2+),and effectively suppresses both side reactions and dendrite growth.The reversibility of Zn anode achieves a significant improvement with an average Coulombic efficiency of 99.22%at 1 mA cm^(−2)and 0.5 mAh cm^(−2)over 500 cycles.Even at a high Zn utilization rate(depth of discharge,DODZn)of 68%,a steady cycle life up to 200 h is obtained for ultrathin Zn foils(20μm).The superior rate capability and long-term cycle stability of Zn–MnO_(2)full cells further prove the effectiveness of Gly in stabilizing Zn anode.This work sheds light on additive designing from the specific roles of polar groups for AZIBs.展开更多
Ferromanganese crusts and nodules are important submarine mineral resources that contain various metal elements with significant economic value. In this study, polymetallic crusts and nodules obtained from the South C...Ferromanganese crusts and nodules are important submarine mineral resources that contain various metal elements with significant economic value. In this study, polymetallic crusts and nodules obtained from the South China Sea (SCS) were determined by using X-ray power diffraction (XRD), Raman spectroscopy (RS), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) to systematically investigate and analyze the mineralogical and spectral characteristics of the Fe-Mn minerals. XRD measurements revealed that the SCS polymetallic crusts and nodules were composed of vernadite, quartz, and plagioclase. The nodules also contained todorokite. The Fe-phase minerals of the SCS crusts and nodules were composed of amorphous Fe oxide/hydroxide, and the Mn- and Fe-phases minerals exhibited relatively poor degrees of crystallization. FTIR results showed that the Fe-Mn minerals in the crusts and nodules included a large number of surface hydroxyl groups. These surface hydroxyl groups contained protons that could provide reactive sites for complexation of ore-forming elements in seawater. XPS results indicated that the surfaces of the Fe-Mn minerals mainly contained Fe, Mn, and O. Fe was present in the trivalent oxidation state, while Mn, which may contain several bivalent oxidation state, was present in the tetravalent and trivalent oxidation states. The SCS polymetallic crusts and nodules were compared with Pacific seamount crusts, and results showed that the surface hydroxyl (-OH) groups of the SCS crusts and nodules numbered more than the lattice oxygen (O^2-). But the lattice oxygen of Pacific seamount crusts numbered more than the surface hydroxyl groups. This characteristic indicated that the degree of crystallization of Fe-Mn minerals from the Pacific Ocean was higher than that of minerals from the South China Sea. Comprehensive studies showed that ore-forming elements in the interface between seawater and the Fe-Mn minerals in the submarine ferromanganese crusts and nodules employed the following enrichment mechanisms: (1) the metal ion complexed with the surface hydroxyl of Fe-Mn minerals to form hydroxyl complexes, which were connected by coordination bonds or stable inner-sphere complexes that exchanged protons on the mineral surfaces; (2) the charged surfaces of the minerals and metal cations formed outer-sphere complexes, which made up the electrostatic double layer, through electrostatic adsorption; and (3) the metal cations isomorphously exchanged the Mn and Fe ions of the mineral lattice structure.展开更多
Interface and scale effects are the two most important factors which strongly affect the structure and the properties of nano-/micro-crystals under pressure.We conduct an experiment under high pressure in situ alterna...Interface and scale effects are the two most important factors which strongly affect the structure and the properties of nano-/micro-crystals under pressure.We conduct an experiment under high pressure in situ alternating current impedance to elucidate the effects of interface on the structure and electrical transport behavior of two Zn Se samples with different sizes obtained by physical grinding.The results show that(i) two different-sized Zn Se samples undergo the same phase transitions from zinc blend to cinnabar-type phase and then to rock salt phase;(ii) the structural transition pressure of the859-nm Zn Se sample is higher than that of the sample of 478 nm,which indicates the strong scale effect.The pressure induced boundary resistance change is obtained by fitting the impedance spectrum,which shows that the boundary conduction dominates the electrical transport behavior of Zn Se in the whole experimental pressure range.By comparing the impedance spectra of two different-sized Zn Se samples at high pressure,we find that the resistance of the 478-nm Zn Se sample is lower than that of the 859-nm sample,which illustrates that the sample with smaller particle size has more defects which are due to physical grinding.展开更多
Classical micromechanical methods for calculating the effective moduli of a heteroge- neous material are generalized to include the interface(surface)effect.By using Hashin's Composite Sphere Assemblage(CSA)model,...Classical micromechanical methods for calculating the effective moduli of a heteroge- neous material are generalized to include the interface(surface)effect.By using Hashin's Composite Sphere Assemblage(CSA)model,a new expression of the bulk modulus for a particle-reinforced com- posite is derived.It is emphasized that the present study is within the finite-deformation framework such that the effective properties are not influenced by the interface stress itself solely,but influenced by the change of the interface stress due to changes of the shape and size of the interface.Hence some inadequacies in previous papers are pointed out.展开更多
The yttria-stabilized zirconia(YSZ)is a famous thermal barrier coating material to protect hot-end components of an engine.As a characteristic feature of the YSZ,the surface roughness shall play an important role in t...The yttria-stabilized zirconia(YSZ)is a famous thermal barrier coating material to protect hot-end components of an engine.As a characteristic feature of the YSZ,the surface roughness shall play an important role in the interface thermal conductance between the YSZ and gas,considering that the gas is typically at an extremely high temperature.We investigate the effect of the surface roughness on the thermal conductance of the YSZ-gas interface with surface roughness described by nanoscale pores on the surface of the YSZ.We reveal two competitive mechanisms related to the microstructure of the pore,i.e.,the actual contact area effect and the confinement effect.The increase of the pore depth will enlarge the actual contact area between the YSZ and gas,leading to enhancement of the solid-gas interface thermal conductance.In contrast to the positive actual contact area effect,the geometry-induced confinement effect greatly reduces the interface thermal conductance.These findings shall offer some fundamental understandings for the microscopic mechanisms of the YSZ-gas interface thermal conductance.展开更多
Two-dimensional (2D) equations for multiferroic (MF) laminated plates with imperfect interfaces are established in this paper. The interface between two adjacent sublayers, which are not perfectly bonded together,...Two-dimensional (2D) equations for multiferroic (MF) laminated plates with imperfect interfaces are established in this paper. The interface between two adjacent sublayers, which are not perfectly bonded together, is modeled as a general spring-type layer. The mechanical displacements, and the electric and magnetic potentials of the two adjacent layers are assumed to be discontinuous at the interface. As an example, the influences of imperfect interfaces on the magnetoelectric (ME) coupling effects in an MF sandwich plate are investigated with the established 2D governing equations. Numerical results show that the imperfect interfaces have a significant impact on the ME coupling effects in MF laminated structures.展开更多
The catalytic performance of Molybdenum disulfide(MoS_(2)) has been still far from that of Pt-based catalysts for inadequate active sites and sluggish electron transfer kinetics. Through engineering the interface betw...The catalytic performance of Molybdenum disulfide(MoS_(2)) has been still far from that of Pt-based catalysts for inadequate active sites and sluggish electron transfer kinetics. Through engineering the interface between MoS_(2)-based materials and supported substrates, hybrid Ru-doped MoS_(2) on carbonized lignin(CL) is designed and prepared as efficient catalyst for hydrogen evolution reaction(HER). The CL substrate not only facilitates the growth of MoS_(2) nanoflowers, but also promotes the electron transfer. Ru doping increases active sites greatly for HER. The hybrid catalyst achieves a low onset overpotential of 25 mV and a low Tafel slope of 46 m V dec^(-1). The favorable HER activity ascribes to the interfacial interaction between MoS_(2) and CL. Density functional theory calculations further confirm the improved HER performance with doped Ru atoms. This study presents a prototype application to design electrocatalysts with enhanced carrier mobility and high-density active sites based on interface effect.展开更多
Experimental and theoretical researches on the doping effect of interface binding state with homologous and heterogeneous dopants(d) in the system of PCD etc,as well as the action of intermediate layers between D /d a...Experimental and theoretical researches on the doping effect of interface binding state with homologous and heterogeneous dopants(d) in the system of PCD etc,as well as the action of intermediate layers between D /d at superhigh pressure and high temperature(HP-HT) are reported in this paper.展开更多
In this paper, we present an analytical solution of the interaction of the nanotube (NT) with a wedge disclination dipole in nanotube-based composites. The corresponding boundary value problem is solved exactly by u...In this paper, we present an analytical solution of the interaction of the nanotube (NT) with a wedge disclination dipole in nanotube-based composites. The corresponding boundary value problem is solved exactly by using complex potential functions. The explicit expression of the force exerted on disclination dipole is given by using the generalized Peach- Koehler formula. As a numerical illustration, both the equilibrium position and the stability of the disclination dipole are evaluated for different material combinations, relative thickness of an NT, surface/interface effects, and the features of the disclination dipole. The results show that as the thickness of the NT layer increases, the NT has a relatively major role in the force acting on the disclination dipole in the NT-based composite. The cooperative effect of surface/interface stresses and the NT becomes considerable as the increase of NT layer thickness. The equilibrium position may occur, even more than one, due to the influences of the surface/interface stress and the NT thickening. The influences of the surface/interface stresses and the thickness of the NT layer on the force are greatly dependent on the disclination angle.展开更多
The dependences of Fermi-level pinning on interface state densities for the metal-dielectric, ploycrystalline silicon-dielectric, and metal silicide-dielectric interfaces are investigated by calculating their effectiv...The dependences of Fermi-level pinning on interface state densities for the metal-dielectric, ploycrystalline silicon-dielectric, and metal silicide-dielectric interfaces are investigated by calculating their effective work functions and their pinning factors. The Fermi-level pinning factors and effective work functions of the metal-dielectric interface are observed to be more susceptible to the increasing interface state densities, differing significantly from that of the ploycrystalline silicon-dielectric interface and the metal silicide-dielectric interface. The calculation results indicate that metal silicide gates with high-temperature resistance and low resistivity are a more promising choice for the design of gate materials in metal-oxide semiconductor(MOS) technology.展开更多
In order to apply classical micromechanics in predicting the effective prop- erties of nanocomposites incorporating interface energy, a concept of equivalent inclusion (EI) is usually adopted. The properties of EI a...In order to apply classical micromechanics in predicting the effective prop- erties of nanocomposites incorporating interface energy, a concept of equivalent inclusion (EI) is usually adopted. The properties of EI are obtained by embedding a single inclusion with the interface into an infinite matrix. However, whether such an EI is universal for different micromechanics-based methods is rarely discussed in the literature. In this pa- per, the interface energy theory is used to study the applicability of the above mentioned EI. It is found that some elastic properties of the EI are related only to the properties of the inclusion and the interface, whereas others are also related to the properties of the matrix. The former properties of the EI can be applied to both the classical Mori-Tanaka method (MTM) and the generalized self-consistent method (GSCM). However, the latter can be applied only to the MTM. Two kinds of new EIs are proposed for the GSCM and used to estimate the effective mechanical properties of nanocomposites.展开更多
The friction at the liquid-solid interfaces is widely involved in various phenomena ranging from nanometer to micrometer scales. By the molecular dynamic(MD)simulation, the friction properties of liquid-solid interfac...The friction at the liquid-solid interfaces is widely involved in various phenomena ranging from nanometer to micrometer scales. By the molecular dynamic(MD)simulation, the friction properties of liquid-solid interfaces at the molecular level are calculated via the Green-Kubo relation. It is found that the system size will influence the value of the friction coefficient, especially for the solid surfaces with the larger polar charge. The value of the friction coefficient decreases with the increase in the system size and converges at large system sizes. The large polar charge will lead to a significant friction coefficient. However, the diffusion of water molecules on this surface is almost a constant, indicating that the diffusion coefficient seems to be independent of the system size and polar charge. This work provides insights for the selection of the system size in modeling the frictional properties of hydrophobic/hydrophilic surfaces.展开更多
Inhibiting the “shuttle effect” of soluble polysulfides and improving reaction kinetics are the key factors necessary for further exploration of high-performance Li-S batteries. Herein, an effective interface engine...Inhibiting the “shuttle effect” of soluble polysulfides and improving reaction kinetics are the key factors necessary for further exploration of high-performance Li-S batteries. Herein, an effective interface engineering strategy is reported, wherein nitriding of an Ni-based precursor is controlled to enhance Li-S cell regulation. The resulting in-situ formed NiO-Ni_(3)N heterostructure interface not only has a stronger polysulfide adsorption effect than that of monomeric NiO or Ni_(3)N but also has a faster Li ion diffusion ability than a simple physical mixture. More importantly, this approach couples the respective advantages of NiO and Ni_(3)N to reduce polarization and facilitate electron transfer during polysulfide reactions and synergistically catalyze polysulfide conversion. In addition, ultrafine nanoparticles are thought to effectively improve the use of additive materials. In summary, Li-S batteries based on this NiO-Ni_(3)N heterostructure have the features of long cycle stability, rapid charging-discharging, and good performance under high sulfur loading.展开更多
The propagation of shear-horizontal(SH)waves in the periodic layered nanocomposite is investigated by using both the nonlocal integral model and the nonlocal differential model with the interface effect.Based on the t...The propagation of shear-horizontal(SH)waves in the periodic layered nanocomposite is investigated by using both the nonlocal integral model and the nonlocal differential model with the interface effect.Based on the transfer matrix method and the Bloch theory,the band structures for SH waves with both vertical and oblique incidences to the structure are obtained.It is found that by choosing appropriate interface parameters,the dispersion curves predicted by the nonlocal differential model with the interface effect can be tuned to be the same as those based on the nonlocal integral model.Thus,by propagating the SH waves vertically and obliquely to the periodic layered nanostructure,we could invert,respectively,the interface mass density and the interface shear modulus,by matching the dispersion curves.Examples are further shown on how to determine the interface mass density and the interface shear modulus in theory.展开更多
We use the first-principles calculation method to study the interface effect on the structure and electronic properties of graphdiyne adsorbed on the conventional substrates of rough SiO2 and flat h-BN. For the SiO2 s...We use the first-principles calculation method to study the interface effect on the structure and electronic properties of graphdiyne adsorbed on the conventional substrates of rough SiO2 and flat h-BN. For the SiO2 substrate, we consider all possible surface terminations, including Si termination with dangling bond, Si terminations with full and partial hydrogenation, and oxygen terminations with dimerization and hydrogenation. We find that graphdiyne can maintain a flat geometry when absorbed on both h-BN and SiO2 substrates except for the Si termination with partial hydrogenation(Si-H) SiO2 substrate. A lack of surface corrugation in graphdiyne on the substrates, which may help maintain its electronic band character, is due to the weak Van der Waals interaction between graphdiyne and the substrate. Si-H SiO2 should be avoided in applications since a covalent type bonding between graphdiyne and SiO2 will totally vary the band structure of graphdiyne.Interestingly, the oxygen termination with dimerization SiO2 substrate has spontaneous p-type doping on graphdiyne via interlayer charge transfer even in the absence of extrinsic impurities in the substrate. Our result may provide a stimulus for future experiments to unveil its potential in electronic device applications.展开更多
基金supported by the National Natural Science Foundation of China(52150410409).
文摘Exploring effective iridium(Ir)-based electrocatalysts with stable iridium centers is highly desirable for oxygen evolution reaction(OER).Herein,we regulated the incorporation manner of Ir in Co_(3)O_(4)support to stabilize the Ir sites for effective OER.When anchored on the surface of Co_(3)O_(4)in the form of Ir(OH)_6 species,the created Ir-OH-Co interface leads to a limited stability and poor acidic OER due to Ir leaching.When doped into Co_(3)O_(4)lattice,the analyses of X-ray absorption spectroscopy,in-situ Raman,and OER measurements show that the partially replacement of Co in Co_(3)O_(4)by Ir atoms inclines to cause strong electronic effect and activate lattice oxygen in the presence of Ir-O-Co interface,and simultaneously master the reconstruction effect to mitigate Ir dissolution,realizing the improved OER activity and stability in alkaline and acidic environments.As a result,Ir_(lat)@Co_(3)O_(4)with Ir loading of 3.67 wt%requires 294±4 mV/285±3 mV and 326±2 mV to deliver 10 mA cm^(-2)in alkaline(0.1 M KOH/1.0 M KOH)and acidic(0.5 M H_(2)SO_(4))solution,respectively,with good stability.
基金supported by the Key Program(U20A20235)funded by the National Natural Science Foundation of Chinathe National Natural Science Foundation of China(52171127,51974242)+3 种基金the Natural Science Basic Research Program of Shaanxi(2023-JC-QN-0595)the Regional Innovation Capability Guidance Program of Shaanxi(2022QFY10-06)the Key R&D Program of Xianyang Science and Technology Bureau(2021ZDYF-GY-0029)the Program of Xi’an Science and Technology Bureau(23GXFW0066)。
文摘Polymer-based composite electrolytes composed of three-dimensional Li_(6.4)La_(3)Zr_(2)Al_(0.2)O_(12)(3D-LLZAO)have attracted increasing attention due to their continuous ion conduction and satisfactory mechanical properties.However,the organic/inorganic interface is incompatible,resulting in slow lithium-ion transport at the interface.Therefore,the compatibility of organic/inorganic interface is an urgent problem to be solved.Inspired by the concept of“gecko eaves”,polymer-based composite solid electrolytes with dense interface structures were designed.The bridging of organic/inorganic interfaces was established by introducing silane coupling agent(3-chloropropyl)trimethoxysilane(CTMS)into the PEO-3D-LLZAO(PL)electrolyte.The in-situ coupling reaction improves the interface affinity,strengthens the organic/inorganic interaction,reduces the interface resistance,and thus achieves an efficient interface ion transport network.The prepared PEO-3D-LLZAO-CTMS(PLC)electrolyte exhibits enhanced ionic conductivity of 6.04×10^(-4)S cm^(-1)and high ion migration number(0.61)at 60℃and broadens the electrochemical window(5.1 V).At the same time,the PLC electrolyte has good thermal stability and high mechanical properties.Moreover,the Li Fe PO_(4)|PLC|Li battery has excellent rate performance and cycling stability with a capacity decay rate of 2.2%after 100 cycles at 60℃and 0.1 C.These advantages of PLC membranes indicate that this design approach is indeed practical,and the in-situ coupling method provides a new approach to address interface compatibility issues.
基金supported by the China Postdoctoral Science Foundation(2021M702304)and Natural Science Foundation of Shandong Province(ZR2021QE260).
文摘A mathematical model for the gas-water two-phase flow in tight gas reservoirs is elaborated.The model can account for the gas slip effect,stress sensitivity,and high-speed non-Darcy factors.The related equations are solved in the framework of a finite element method.The results are validated against those obtained by using the commercial software CMG(Computer Modeling Group software for advanced recovery process simulation).It is shown that the proposed method is reliable.It can capture the fracture rejection characteristics of tight gas reservoirs better than the CMG.A sensitivity analysis of various control factors(initial water saturation,reservoir parameters,and fracturing parameters)affecting the production in tight gas wells is conducted accordingly.Finally,a series of theoretical arguments are provided for a rational and effective development/exploitation of tight sandstone gas reservoirs.
基金supported by the Defense Industrial Technology Development Program(JCKY2017110C0654)National Natural Science Foundation of China(11974063,61904023,62274018)+1 种基金Chongqing Special Postdoctoral Science Foundation(cstc2019jcyj-bsh0026)Fundamental Research Funds for the Central Universities(2021CDJQY-022).
文摘The interfacial defects and energy barrier are main reasons for interfacial nonradiative recombination.In addition,poor perovskite crystallization and incomplete conversion of PbI_(2) to perovskite restrict further enhancement of the photovoltaic performance of the devices using sequential deposition.Herein,a buried interface stabilization strategy that relies on the synergy of fluorine(F)and sulfonyl(S=O)functional groups is proposed.A series of potassium salts containing halide and non-halogen anions are employed to modify SnO_(2)/perovskite buried interface.Multiple chemical bonds including hydrogen bond,coordination bond and ionic bond are realized,which strengthens interfacial contact and defect passivation effect.The chemical interaction between modification molecules and perovskite along with SnO_(2) heightens incessantly as the number of S=O and F augments.The chemical interaction strength between modifiers and perovskite as well as SnO_(2) gradually increases with the increase in the number of S=O and F.The defect passivation effect is positively correlated with the chemical interaction strength.The crystallization kinetics is regulated through the compromise between chemical interaction strength and wettability of substrates.Compared with Cl−,all non-halogen anions perform better in crystallization optimization,energy band regulation and defect passivation.The device with potassium bis(fluorosulfonyl)imide achieves a tempting efficiency of 24.17%.
基金supported by National Science Foundation of China(52201254)Shandong Province(ZR2020MB090,ZR2020QE012)the project of“20 Items of University”of Jinan(202228046)。
文摘The sluggish kinetics of both hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)generate the large overpotential in water electrolysis and thus high-cost hydrogen production.Here,multidimensional nanoporous interpenetrating-phase FeNiZn alloy and FeNi_(3)intermetallic heterostructure is in situ constructed on NiFe foam(FeNiZn/FeNi_(3)@NiFe)by dealloying protocol.Coupling with the eminent synergism among specific constituents and the highly efficient mass transport from integrated porous backbone,FeNiZn/FeNi_(3)@NiFe depicts exceptional bifunctional activities for water splitting with extremely low overpotentials toward OER and HER(η_(1000)=367/245 mV)as well as the robust durability during the 400 h testing in alkaline solution.The as-built water electrolyzer with FeNiZn/FeNi_(3)@NiFe as both anode and cathode exhibits record-high performances for sustainable hydrogen output in terms of much lower cell voltage of 1.759 and 1.919 V to deliver the current density of 500 and 1000 mA cm^(-2)as well long working lives.Density functional theory calculations disclose that the interface interaction between FeNiZn alloy and FeNi_(3)intermetallic generates the modulated electron structure state and optimized intermediate chemisorption,thus diminishing the energy barriers for hydrogen production in water splitting.With the merits of fine performances,scalable fabrication,and low cost,FeNiZn/FeNi_(3)@NiFe holds prospective application potential as the bifunctional electrocatalyst for water splitting.
基金supported by National Key R&D Program(2022YFB2502000)Zhejiang Provincial Natural Science Foundation of China(LZ23B030003)+1 种基金the Fundamental Research Funds for the Central Universities(2021FZZX001-09)the National Natural Science Foundation of China(52175551).
文摘While the rechargeable aqueous zinc-ion batteries(AZIBs)have been recognized as one of the most viable batteries for scale-up application,the instability on Zn anode–electrolyte interface bottleneck the further development dramatically.Herein,we utilize the amino acid glycine(Gly)as an electrolyte additive to stabilize the Zn anode–electrolyte interface.The unique interfacial chemistry is facilitated by the synergistic“anchor-capture”effect of polar groups in Gly molecule,manifested by simultaneously coupling the amino to anchor on the surface of Zn anode and the carboxyl to capture Zn^(2+)in the local region.As such,this robust anode–electrolyte interface inhibits the disordered migration of Zn^(2+),and effectively suppresses both side reactions and dendrite growth.The reversibility of Zn anode achieves a significant improvement with an average Coulombic efficiency of 99.22%at 1 mA cm^(−2)and 0.5 mAh cm^(−2)over 500 cycles.Even at a high Zn utilization rate(depth of discharge,DODZn)of 68%,a steady cycle life up to 200 h is obtained for ultrathin Zn foils(20μm).The superior rate capability and long-term cycle stability of Zn–MnO_(2)full cells further prove the effectiveness of Gly in stabilizing Zn anode.This work sheds light on additive designing from the specific roles of polar groups for AZIBs.
基金The National Natural Science Foundation of China under contract Nos 40473024 and 40343019the research fund from State Key Laboratory for Mineral Deposits Research in Nanjing University under contract No.20-15-07+3 种基金the Investigation and Development of Marine Resources during the 12th Five Year Plan Project under contract No.DY125-13-R-05the Doctoral Program of Higher Education Research Fund under contract Nos 20040558049 and 20120171130005the Project of High Level Talents in Colleges of Guangdong Province(2011)the Fundamental Research Funds for Central Universities under contract Nos 16lgjc11,12lgjc05 and 09lgpy09
文摘Ferromanganese crusts and nodules are important submarine mineral resources that contain various metal elements with significant economic value. In this study, polymetallic crusts and nodules obtained from the South China Sea (SCS) were determined by using X-ray power diffraction (XRD), Raman spectroscopy (RS), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) to systematically investigate and analyze the mineralogical and spectral characteristics of the Fe-Mn minerals. XRD measurements revealed that the SCS polymetallic crusts and nodules were composed of vernadite, quartz, and plagioclase. The nodules also contained todorokite. The Fe-phase minerals of the SCS crusts and nodules were composed of amorphous Fe oxide/hydroxide, and the Mn- and Fe-phases minerals exhibited relatively poor degrees of crystallization. FTIR results showed that the Fe-Mn minerals in the crusts and nodules included a large number of surface hydroxyl groups. These surface hydroxyl groups contained protons that could provide reactive sites for complexation of ore-forming elements in seawater. XPS results indicated that the surfaces of the Fe-Mn minerals mainly contained Fe, Mn, and O. Fe was present in the trivalent oxidation state, while Mn, which may contain several bivalent oxidation state, was present in the tetravalent and trivalent oxidation states. The SCS polymetallic crusts and nodules were compared with Pacific seamount crusts, and results showed that the surface hydroxyl (-OH) groups of the SCS crusts and nodules numbered more than the lattice oxygen (O^2-). But the lattice oxygen of Pacific seamount crusts numbered more than the surface hydroxyl groups. This characteristic indicated that the degree of crystallization of Fe-Mn minerals from the Pacific Ocean was higher than that of minerals from the South China Sea. Comprehensive studies showed that ore-forming elements in the interface between seawater and the Fe-Mn minerals in the submarine ferromanganese crusts and nodules employed the following enrichment mechanisms: (1) the metal ion complexed with the surface hydroxyl of Fe-Mn minerals to form hydroxyl complexes, which were connected by coordination bonds or stable inner-sphere complexes that exchanged protons on the mineral surfaces; (2) the charged surfaces of the minerals and metal cations formed outer-sphere complexes, which made up the electrostatic double layer, through electrostatic adsorption; and (3) the metal cations isomorphously exchanged the Mn and Fe ions of the mineral lattice structure.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11404133 and 11374121)the Program of Science and Technology Development Plan of Jilin Province,China(Grant No.20140520105JH)
文摘Interface and scale effects are the two most important factors which strongly affect the structure and the properties of nano-/micro-crystals under pressure.We conduct an experiment under high pressure in situ alternating current impedance to elucidate the effects of interface on the structure and electrical transport behavior of two Zn Se samples with different sizes obtained by physical grinding.The results show that(i) two different-sized Zn Se samples undergo the same phase transitions from zinc blend to cinnabar-type phase and then to rock salt phase;(ii) the structural transition pressure of the859-nm Zn Se sample is higher than that of the sample of 478 nm,which indicates the strong scale effect.The pressure induced boundary resistance change is obtained by fitting the impedance spectrum,which shows that the boundary conduction dominates the electrical transport behavior of Zn Se in the whole experimental pressure range.By comparing the impedance spectra of two different-sized Zn Se samples at high pressure,we find that the resistance of the 478-nm Zn Se sample is lower than that of the 859-nm sample,which illustrates that the sample with smaller particle size has more defects which are due to physical grinding.
基金The project supported by the National Natural Science Foundation of China(10032010,10372004)Shanghai Leading Academic Discipline
文摘Classical micromechanical methods for calculating the effective moduli of a heteroge- neous material are generalized to include the interface(surface)effect.By using Hashin's Composite Sphere Assemblage(CSA)model,a new expression of the bulk modulus for a particle-reinforced com- posite is derived.It is emphasized that the present study is within the finite-deformation framework such that the effective properties are not influenced by the interface stress itself solely,but influenced by the change of the interface stress due to changes of the shape and size of the interface.Hence some inadequacies in previous papers are pointed out.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11822206 and 12072182)the Innovation Program of the Shanghai Municipal Education Commission(Grant No.2017-01-07-00-09-E00019)+1 种基金the Key Research Project of Zhejiang Laboratorythe National Supercomputing Center in Zhengzhou(Grant No.2021PE0AC02)
文摘The yttria-stabilized zirconia(YSZ)is a famous thermal barrier coating material to protect hot-end components of an engine.As a characteristic feature of the YSZ,the surface roughness shall play an important role in the interface thermal conductance between the YSZ and gas,considering that the gas is typically at an extremely high temperature.We investigate the effect of the surface roughness on the thermal conductance of the YSZ-gas interface with surface roughness described by nanoscale pores on the surface of the YSZ.We reveal two competitive mechanisms related to the microstructure of the pore,i.e.,the actual contact area effect and the confinement effect.The increase of the pore depth will enlarge the actual contact area between the YSZ and gas,leading to enhancement of the solid-gas interface thermal conductance.In contrast to the positive actual contact area effect,the geometry-induced confinement effect greatly reduces the interface thermal conductance.These findings shall offer some fundamental understandings for the microscopic mechanisms of the YSZ-gas interface thermal conductance.
基金supported by the National Natural Science Foundation of China(11672265,11202182,11272281,11621062,and 11321202)the Fundamental Research Funds for the Central Universities(2016QNA4026 and 2016XZZX001-05)the open foundation of Zhejiang Provincial Top Key Discipline of Mechanical Engineering
文摘Two-dimensional (2D) equations for multiferroic (MF) laminated plates with imperfect interfaces are established in this paper. The interface between two adjacent sublayers, which are not perfectly bonded together, is modeled as a general spring-type layer. The mechanical displacements, and the electric and magnetic potentials of the two adjacent layers are assumed to be discontinuous at the interface. As an example, the influences of imperfect interfaces on the magnetoelectric (ME) coupling effects in an MF sandwich plate are investigated with the established 2D governing equations. Numerical results show that the imperfect interfaces have a significant impact on the ME coupling effects in MF laminated structures.
基金supported by National Natural Science Foundation of China (21705036, 21975067, 11974105, and 11634001)National Basic Research Programs of China (2016YFA0300901)+3 种基金Natural Science Foundation of Hunan Province, China (2018JJ3035)Fundamental Research Funds for the Central Universities from Hunan Universityfinancially supported by the fund of Prof. Hong from University of Macao (SRG201600092-IAPME, MYRG2018-00079-IAPME, MYRG2019-00115-IAPME)the Science and Technology Development Fund, Macao SAR (FDCT081/2017/A2, FDCT0059/2018/A2, FDCT009/2017/AMJ)
文摘The catalytic performance of Molybdenum disulfide(MoS_(2)) has been still far from that of Pt-based catalysts for inadequate active sites and sluggish electron transfer kinetics. Through engineering the interface between MoS_(2)-based materials and supported substrates, hybrid Ru-doped MoS_(2) on carbonized lignin(CL) is designed and prepared as efficient catalyst for hydrogen evolution reaction(HER). The CL substrate not only facilitates the growth of MoS_(2) nanoflowers, but also promotes the electron transfer. Ru doping increases active sites greatly for HER. The hybrid catalyst achieves a low onset overpotential of 25 mV and a low Tafel slope of 46 m V dec^(-1). The favorable HER activity ascribes to the interfacial interaction between MoS_(2) and CL. Density functional theory calculations further confirm the improved HER performance with doped Ru atoms. This study presents a prototype application to design electrocatalysts with enhanced carrier mobility and high-density active sites based on interface effect.
文摘Experimental and theoretical researches on the doping effect of interface binding state with homologous and heterogeneous dopants(d) in the system of PCD etc,as well as the action of intermediate layers between D /d at superhigh pressure and high temperature(HP-HT) are reported in this paper.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11172094 and 11172095)the Program for New Century Excellent Talents in University of Ministry of Education of China(Grant No.NCET-11-0122)the Hunan Provincial Natural Science Foundation for Creative Research Groups,China(Grant No.12JJ7001)
文摘In this paper, we present an analytical solution of the interaction of the nanotube (NT) with a wedge disclination dipole in nanotube-based composites. The corresponding boundary value problem is solved exactly by using complex potential functions. The explicit expression of the force exerted on disclination dipole is given by using the generalized Peach- Koehler formula. As a numerical illustration, both the equilibrium position and the stability of the disclination dipole are evaluated for different material combinations, relative thickness of an NT, surface/interface effects, and the features of the disclination dipole. The results show that as the thickness of the NT layer increases, the NT has a relatively major role in the force acting on the disclination dipole in the NT-based composite. The cooperative effect of surface/interface stresses and the NT becomes considerable as the increase of NT layer thickness. The equilibrium position may occur, even more than one, due to the influences of the surface/interface stress and the NT thickening. The influences of the surface/interface stresses and the thickness of the NT layer on the force are greatly dependent on the disclination angle.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61376096,61327813,and 11234007)
文摘The dependences of Fermi-level pinning on interface state densities for the metal-dielectric, ploycrystalline silicon-dielectric, and metal silicide-dielectric interfaces are investigated by calculating their effective work functions and their pinning factors. The Fermi-level pinning factors and effective work functions of the metal-dielectric interface are observed to be more susceptible to the increasing interface state densities, differing significantly from that of the ploycrystalline silicon-dielectric interface and the metal silicide-dielectric interface. The calculation results indicate that metal silicide gates with high-temperature resistance and low resistivity are a more promising choice for the design of gate materials in metal-oxide semiconductor(MOS) technology.
基金supported by the National Natural Science Foundation of China(Nos.11272007 and 11332001)
文摘In order to apply classical micromechanics in predicting the effective prop- erties of nanocomposites incorporating interface energy, a concept of equivalent inclusion (EI) is usually adopted. The properties of EI are obtained by embedding a single inclusion with the interface into an infinite matrix. However, whether such an EI is universal for different micromechanics-based methods is rarely discussed in the literature. In this pa- per, the interface energy theory is used to study the applicability of the above mentioned EI. It is found that some elastic properties of the EI are related only to the properties of the inclusion and the interface, whereas others are also related to the properties of the matrix. The former properties of the EI can be applied to both the classical Mori-Tanaka method (MTM) and the generalized self-consistent method (GSCM). However, the latter can be applied only to the MTM. Two kinds of new EIs are proposed for the GSCM and used to estimate the effective mechanical properties of nanocomposites.
基金the National Natural Science Foundation of China(Nos.11605151,11675138,and 11422542)the Special Program for Applied Research on Super Computation of the NSFCGuangdong Joint Fund(the second phase)。
文摘The friction at the liquid-solid interfaces is widely involved in various phenomena ranging from nanometer to micrometer scales. By the molecular dynamic(MD)simulation, the friction properties of liquid-solid interfaces at the molecular level are calculated via the Green-Kubo relation. It is found that the system size will influence the value of the friction coefficient, especially for the solid surfaces with the larger polar charge. The value of the friction coefficient decreases with the increase in the system size and converges at large system sizes. The large polar charge will lead to a significant friction coefficient. However, the diffusion of water molecules on this surface is almost a constant, indicating that the diffusion coefficient seems to be independent of the system size and polar charge. This work provides insights for the selection of the system size in modeling the frictional properties of hydrophobic/hydrophilic surfaces.
基金financial support of the Youth Project of the Provincial Natural Science Foundation of Anhui(No. 2008085QE267)the Doctoral Research Initiation Foundation of Anhui Normal University (No. 751973)+2 种基金the National Natural Science Foundation of China (No. 51972162)the Fundamental Research Funds for the Central Universities (No. 0213-14380196)the Science and Technology Project of Nanchang (No. 2017-SJSYS-008)。
文摘Inhibiting the “shuttle effect” of soluble polysulfides and improving reaction kinetics are the key factors necessary for further exploration of high-performance Li-S batteries. Herein, an effective interface engineering strategy is reported, wherein nitriding of an Ni-based precursor is controlled to enhance Li-S cell regulation. The resulting in-situ formed NiO-Ni_(3)N heterostructure interface not only has a stronger polysulfide adsorption effect than that of monomeric NiO or Ni_(3)N but also has a faster Li ion diffusion ability than a simple physical mixture. More importantly, this approach couples the respective advantages of NiO and Ni_(3)N to reduce polarization and facilitate electron transfer during polysulfide reactions and synergistically catalyze polysulfide conversion. In addition, ultrafine nanoparticles are thought to effectively improve the use of additive materials. In summary, Li-S batteries based on this NiO-Ni_(3)N heterostructure have the features of long cycle stability, rapid charging-discharging, and good performance under high sulfur loading.
基金Project supported by the National Natural Science Foundation of China(Nos.11472182 and 11272222)the China Scholarship Council(No.201907090051)。
文摘The propagation of shear-horizontal(SH)waves in the periodic layered nanocomposite is investigated by using both the nonlocal integral model and the nonlocal differential model with the interface effect.Based on the transfer matrix method and the Bloch theory,the band structures for SH waves with both vertical and oblique incidences to the structure are obtained.It is found that by choosing appropriate interface parameters,the dispersion curves predicted by the nonlocal differential model with the interface effect can be tuned to be the same as those based on the nonlocal integral model.Thus,by propagating the SH waves vertically and obliquely to the periodic layered nanostructure,we could invert,respectively,the interface mass density and the interface shear modulus,by matching the dispersion curves.Examples are further shown on how to determine the interface mass density and the interface shear modulus in theory.
基金Project supported by the National Natural Science Foundation of China(Grant No.51331006)the Key Research Program of Chinese Academy of Sciences(Grant No.KGZD-EW-T06)the IMR SYNL-Young Merit Scholars Research Grant,China
文摘We use the first-principles calculation method to study the interface effect on the structure and electronic properties of graphdiyne adsorbed on the conventional substrates of rough SiO2 and flat h-BN. For the SiO2 substrate, we consider all possible surface terminations, including Si termination with dangling bond, Si terminations with full and partial hydrogenation, and oxygen terminations with dimerization and hydrogenation. We find that graphdiyne can maintain a flat geometry when absorbed on both h-BN and SiO2 substrates except for the Si termination with partial hydrogenation(Si-H) SiO2 substrate. A lack of surface corrugation in graphdiyne on the substrates, which may help maintain its electronic band character, is due to the weak Van der Waals interaction between graphdiyne and the substrate. Si-H SiO2 should be avoided in applications since a covalent type bonding between graphdiyne and SiO2 will totally vary the band structure of graphdiyne.Interestingly, the oxygen termination with dimerization SiO2 substrate has spontaneous p-type doping on graphdiyne via interlayer charge transfer even in the absence of extrinsic impurities in the substrate. Our result may provide a stimulus for future experiments to unveil its potential in electronic device applications.