Interface Effect of Ru-MoS_(2) Nanoflowers on Lignin Substrate for Enhanced Hydrogen Evolution Activity

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.

INTERFACE EFFECT ON THE EFFECTIVE BULK MODULUS OF A PARTICLE-REINFORCED COMPOSITE

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.

Shear-horizontal waves in periodic layered nanostructure with both nonlocal and interface effects

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.

Interface effect on structural and electronic properties of graphdiyne adsorbed on SiO_2 and h-BN substrates:A first-principles study

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.

Elastic behavior of disclination dipole near nanotube with surface/interface effect

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.

The atomic interface effect of single atom catalysts for electrochemical hydrogen peroxide production

Producing hydrogen peroxide(H_(2)O_(2))through an electrochemical oxygen reduction reaction(ORR)is a safe,green strategy and a promising alternative to traditional energy-intensive anthraquinone processes.Air and renewable power could be utilized for onsite and decentralized H_(2)O_(2)production,demonstrating significant application potential.Currently,single atom catalysts(SACs)have demonstrated significant advantages in the catalytic production of H_(2)O_(2)in 2e−ORR.However,the selectivity of SACs in ORR once puzzled researchers.This article reviews the research on the development and achievements of H_(2)O_(2)production by SACs catalysis in recent years.Especially,the structure-performance relationship is a guide to designing new SACs.Combining advanced characterization techniques and theoretical calculation methods,researchers have a clearer and more thorough understanding of the impact of the atomic interface of SACs on ORR catalytic performance.The coordination moiety formed between the active metal center atom and the support seriously determines the selectivity of SACs,mainly manifested in the adsorption of*OOH intermediates.Particularly,the atomic interface of metal atoms together with O/N co-coordination exhibit high selectivity and mass activity,and heteroatoms or functional groups on carbon supports present synergistic effects to promote the production of H_(2)O_(2)in 2e−ORR.Fine and accurate regulation of the atomic interface of SACs directly affects the 2e−ORR performance of the catalysts.Therefore,it is important to deeply understand the atomic interface of SACs and contribute to the development of novel catalysts.

Stabilizing iridium sites via interface and reconstruction regulations for water oxidation in alkaline and acidic media

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.

The effect of Fe-Mn minerals and seawater interface and enrich-ment mechanism of ore-forming elements of polymetallic crusts and nodules from the South China Sea

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.

Effects of grinding-induced grain boundary and interfaces on electrical transportation and structure phase transition in ZnSe under high pressure

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.

Duplex Interpenetrating-Phase FeNiZn and FeNi_(3)Heterostructure with Low-Gibbs Free Energy Interface Coupling for Highly Efficient Overall Water Splitting

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.

The effect of NiO-Ni_(3)N interfaces in in-situ formed heterostructure ultrafine nanoparticles on enhanced polysulfide regulation in lithium-sulfur batteries

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.

Equivalent inclusions in micromechanics with interface energy effect

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.

Magnetoelectric effects in multiferroic laminated plates with imperfect interfaces

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.

Effect of Metallurgical Behaviour at the Interface between Ceramic and Interlayer on the Si_3N_4/1.25Cr-0.5Mo Steel Joint Strength

By using newly developed CuNi5~25Ti16~28 B rapldly solidifled brazing filler the joining of Si3 N4/1.25Cr-0.5Mo steel has been carried out with interlayer method. If employing the interlayer structure of steel (0.2 mm)/W (2.0 mm)/Ni(0.2 mm), the joint strength can be increased greatly compared with employing that of Ni/W/Ni, and the three point bend strength of the Joint shows the value of 261 MPa. The metallurgical behaviour at the interface between Si3N4 and the interlayer has been studied. It is found that Fe participated in the interfacial reactions between Si3N4 and the brazing filler at the Si3N4/steel (0.2 mm) interface and the compound Fe5Si3 was produced. However, since the reactions of Fe with the active Ti are weaker than those of Ni with Ti, the normal inter facial reactions were still assured at the interface of Si3N4/steel (0.2 mm) instead of Si3N4/Ni (0.2 mm), resulting in the improvement of the joint strength. The mechanism of the formation of Fe5Si3 is also discussed. Finally, some ideas to further ameliorate and simplify the interlayer structure are put forward.

Effects of Thickness on the Electrical Conductivity of Sputtered YSZ Film with Nanocrystalline Columnar Microstructure

In order to investigate the effect of the thickness on the electrical conductivity of yttriastabilized zirconia(YSZ) film, the nanocrystalline columnar-structured YSZ film with thickness of 0.67-2.52 μm was prepared by magnetron sputtering through controlling the deposition time. All the sputtered films with different thicknesses consist of the main phase of cubic YSZ as well as a small amount of monoclinic YSZ. The thicker films exhibit a typical columnar grain structure based on the fractured cross-sectional SEM observations. The average diameters of columnar grains increase from about 40 nm to 100 nm with the film thickness from 0.67 μm to 2.52 μm according to TEM analysis. The thinnest YSZ film with 0.67 μm thickness shows the highest apparent electrical conductivity in the four films in 400-800 ℃ due to the contribution from the highly conductive film/substrate interfacial region. On the other hand, the real electrical conductivities of YSZ films increase with film thickness from 0.67 μm to 2.52 μm after eliminating the contribution of the film/substrate interface. The increasing film thickness leads to the grain growth as well as the decrement in the volumetric fraction of the resistive columnar grain boundary and a consequent higher real electrical conductivity.

Influence of interface within the composite barrier on the tunneling electroresistance of ferroelectric tunnel junctions with symmetric electrodes

The interface with a pinned dipole within the composite barrier in a ferroelectric tunnel junction（FTJ） with symmetric electrodes is investigated.Different from the detrimental effect of the interface between the electrode and barrier in previous studies,the existence of an interface between the dielectric SrTiO_3 slab and ferroelectric BaTiO_3 slab in FTJs will enhance the tunneling electroresistance（TER） effect.Specifically,the interface with a lower dielectric constant and larger polarization pointing to the ferroelectric slab favors the increase of TER ratio.Therefore,interface control of high performance FTJ can be achieved.

Size-dependent electromechanical properties in piezoelectric superlattices due to flexoelectric effect

Piezoelectric superlattice is a potential component for nanoelectromechanical systems. Due to the strong nonlocal effect such as flexoelectric effect at interfaces, classical piezoelectric theory is unable to accurately describe the electromechanical response of piezoelectric superlattice at nanoscale scale. Based on the previous nonlocal thermodynamics theory with flexoelectric effect Liu et al. （2016）, the size- dependent electromechanical properties of piezoelectric superlattices made of BaTiO3 （BTO） and PbTiO3 （PRO） layers are investigated systematically in the present work. Giant strain gradient is found near the interface between BTO and PTO layers, which leads to the significant enhancement of polarization in the superlattice due to the flexoelectric effect. For the piezoelectric BTO-PTO superlattices with different unit- cell sizes, the thickness of interface with nontrivial strain gradient is almost constant. The influence of strain gradient at the interface becomes significant when the size of superlattice decreases, As a result, a strong size dependence of electromechanical properties is predicted for the piezoelectric BTO-PTO superlattices, In particular, for the superlattices with a specific thickness ratio of BTO and PTO layers, the piezoelectric response can be several times larger than that of bulk structure. The present work demonstrates a practical wast to design the piezoelectric superlattices with high piezoelectric coefficient by using the nonlocal effect at nanoscale.

Dislocation stability in three-phase nanocomposites with imperfect interface

Interface imperfection can significantly affect the mechanical properties and failure mechanisms as well as the strength and toughness of nanocomposites. The elastic behavior of a screw dislocation in nanoscale coating with imperfect interface is studied in the three-phase composite cylinder model. The interface between inner nanoin- homogeneity and intermediate coating is assumed as perfectly bonded. The bonding between intermediate coating and outer matrix is considered to be imperfect with the assumption that interface imperfection is uniform, and a linear spring model is adopted to describe the weakness of imperfect interface. The explicit expression for image force acting on dislocation is obtained by means of a complex variable method. The analytic results indicate that inner interface effect and outer interface imperfection, simultaneously taken into account, would influence greatly image force, equilibrium position and stability of dislocation, and various critical parameters that would change dislocation stability. The weaker interface is a very strong trap for glide dislocation and, thus, a more effective barrier for slip transmission.

Formulations of a hydromechanical interface element

A hydromechanical interface element is proposed for the consideration of the hydraulic-mechanical coupling effect along the interface.The fully coupled governing equations and the relevant finite element formulations are derived in detail for the interface element.All the involved matrices are of the same form as those of a solid element,which makes the incorporation of the model into a finite element program straightforward.Three examples are then numerically simulated using the interface element.Reasonable results confirm the correctness of the proposed model and motivate its application in hydromechanical contact problems in the future.

Effect of initial phase on the Rayleigh–Taylor instability of a finite-thickness fluid shell

Rayleigh–Taylor instability(RTI) of finite-thickness shell plays an important role in deep understanding the characteristics of shell deformation and material mixing. The RTI of a finite-thickness fluid layer is studied analytically considering an arbitrary perturbation phase difference on the two interfaces of the shell. The third-order weakly nonlinear(WN) solutions for RTI are derived. It is found the main feature(bubble-spike structure) of the interface is not affected by phase difference. However, the positions of bubble and spike are sensitive to the initial phase difference, especially for a thin shell(kd < 1), which will be detrimental to the integrity of the shell. Furthermore, the larger phase difference results in much more serious RTI growth, significant shell deformation can be obtained in the WN stage for perturbations with large phase difference. Therefore, it should be considered in applications where the interface coupling and perturbation phase effects are important, such as inertial confinement fusion.