Interface optimization and defects suppression via Na F introduction enable efficient flexible Sb_(2)Se_(3) thin-film solar cells

Sb_(2)Se_(3) with unique one-dimensional(1D) crystal structure exhibits exceptional deformation tolerance,demonstrating great application potential in flexible devices.However,the power conversion efficiency(PCE) of flexible Sb_(2)Se_(3) photovoltaic devices is temporarily limited by the complicated intrinsic defects and the undesirable contact interfaces.Herein,a high-quality Sb_(2)Se_(3) absorber layer with large crystal grains and benign [hkl] growth orientation can be first prepared on a Mo foil substrate.Then NaF intermediate layer is introduced between Mo and Sb_(2)Se_(3),which can further optimize the growth of Sb_(2)Se_(3)thin film.Moreover,positive Na ion diffusion enables it to dramatically lower barrier height at the back contact interface and passivate harmful defects at both bulk and heterojunction.As a result,the champion substrate structured Mo-foil/Mo/NaF/Sb_(2)Se_(3)/CdS/ITO/Ag flexible thin-film solar cell delivers an obviously higher efficiency of 8.03% and a record open-circuit voltage(V_(OC)) of 0.492 V.This flexible Sb_(2)Se_(3) device also exhibits excellent stability and flexibility to stand large bending radius and multiple bending times,as well as superior weak light photo-response with derived efficiency of 12.60%.This work presents an effective strategy to enhance the flexible Sb_(2)Se_(3) device performance and expand its potential photovoltaic applications.

Enhanced Electrical Properties of Bi_(2−x)Sb_(x)Te_(3)Nanoflake Thin Films Through Interface Engineering

The structure–property relationship at interfaces is difficult to probe for thermoelectric materials with a complex interfacial microstructure.Designing thermoelectric materials with a simple,structurally-uniform interface provides a facile way to understand how these interfaces influence the transport properties.Here,we synthesized Bi_(2−x)Sb_(x)Te_(3)(x=0,0.1,0.2,0.4)nanoflakes using a hydrothermal method,and prepared Bi_(2−x)Sb_(x)Te_(3)thin films with predominantly(0001)interfaces by stacking the nanoflakes through spin coating.The influence of the annealing temperature and Sb content on the(0001)interface structure was systematically investigated at atomic scale using aberration-corrected scanning transmission electron microscopy.Annealing and Sb doping facilitate atom diffusion and migration between adjacent nanoflakes along the(0001)interface.As such it enhances interfacial connectivity and improves the electrical transport properties.Interfac reactions create new interfaces that increase the scattering and the Seebeck coefficient.Due to the simultaneous optimization of electrical conductivity and Seebeck coefficient,the maximum power factor of the Bi_(1.8)Sb_(0.2)Te_(3)nanoflake films reaches 1.72 mW m^(−1)K^(−2),which is 43%higher than that of a pure Bi_(2)Te_(3)thin film.

In situ formed LiF-Li_(3)N interface layer enables ultra-stable sulfide electrolyte-based all-solid-state lithium batteries

Sulfide solid electrolytes are promising for high energy density and safety in all-solid-state batteries due to their high ionic conductivity and good mechanical properties.However,the application of sulfide solid electrolytes in all-solid-state batteries with lithium anode is restricted by the side reactions at lithium/electrolytes interfaces and the growth of lithium dendrite caused by nonuniform lithium deposition.Herein,a homogeneous LiF-Li_(3)N composite protective layer is in situ formed via a manipulated reaction of pentafluorobenzamide with Li metal.The LiF-Li_(3)N layer with both high interfacial energy and interfacial adhesion energy can synergistically suppress side reactions and inhibit the growth of lithium dendrite,achieving uniform deposition of lithium.The critical current densities of Li_(10)GeP_(2)S_(12)and Li_(6)PS_(5)Cl are increased to 3.25 and 1.25 mA cm^(-2)with Li@LiF-Li_(3)N layer,which are almost triple and twice as those of Li-symmetric cells in the absence of protection layer,respectively.Moreover,the Li@LiF-Li_(3)N/Li10GeP2S12/Li@LiF-Li_(3)N cell can stably cycle for 9000 h at 0.1 mA cm^(-2)under 0.1 mA h cm^(-2),and Li@LiF-Li_(3)N/Li_(6)PS_(5)Cl/Li@LiF-Li_(3)N cell achieves stable Li plating/stripping for 8000 h at 0.1 mA cm^(-2)under10 m A h cm^(-2).The improved dynamic stability of lithium plating/stripping in Li@LiF-Li_(3)N/Li_(10)GeP_(2)S_(12)or Li_(6)PS_(5)Cl interfaces is proved by three-electrode cells.As a result,LiCoO_(2)/electrolytes/Li@LiF-Li_(3)N batteries with Li_(10)GeP_(2)S_(12)and Li_(6)PS_(5)Cl exhibit remarkable cycling stability of 500 cycles with capacity retentions of 93.5%and 89.2%at 1 C,respectively.

3D Artificial Array Interface Engineering Enabling Dendrite-Free Stable Zn Metal Anode

The ripple effect induced by uncontrollable Zn deposition is considered as the Achilles heel for developing high-performance aqueous Zn-ion batteries.For this problem,this work reports a design concept of 3D artificial array interface engineering to achieve volume stress elimination,preferred orientation growth and dendrite-free stable Zn metal anode.The mechanism of MXene array interface on modulating the growth kinetics and deposition behavior of Zn atoms were firstly disclosed on the multi-scale level,including the in-situ optical microscopy and transient simulation at the mesoscopic scale,in-situ Raman spectroscopy and in-situ X-ray diffraction at the microscopic scale,as well as density functional theory calculation at the atomic scale.As indicated by the electrochemical performance tests,such engineered electrode exhibits the comprehensive enhancements not only in the resistance of corrosion and hydrogen evolution,but also the rate capability and cyclic stability.High-rate performance(20 mA cm^(-2))and durable cycle lifespan(1350 h at 0.5 mA cm^(-2),1500 h at 1 mA cm^(-2)and 800 h at 5 mA cm^(-2))can be realized.Moreover,the improvement of rate capability(214.1 mAh g^(-1)obtained at 10 A g^(-1))and cyclic stability also can be demonstrated in the case of 3D MXene array@Zn/VO2battery.Beyond the previous 2D closed interface engineering,this research offers a unique 3D open array interface engineering to stabilize Zn metal anode,the controllable Zn deposition mechanism revealed is also expected to deepen the fundamental of rechargeable batteries including but not limited to aqueous Zn metal batteries.

FLAC3D复杂模型interface建模方法探讨

针对FLAC3D中复杂模型接触单元(interface)建模难的问题,利用ansys强大的前处理功能,探讨了适用于岩土工程全过程数值模拟分析的复杂模型"先实体面后接触面"的interface建模方法。并将该方法运用到实际的工程数值计算过程中,验证了该建模方法的有效性、实用性,对今后的FLAC3D的接触面的建模过程具有重要的参考价值。

FLAC^(3D)模型interface法向应力的MATLAB处理

采矿工程领域经常用到FLAC3D软件进行工作面开挖、巷道支护以及边坡稳定性的研究,但FLAC3D在后处理有关力时仅能出云图。针对FLAC3D在后处理功能中的缺陷,利用MATLAB在数据可视化方面的优越性,通过用FLAC3D自带的fish语言提取相应结构的应力,特别是interface上的法向应力,并运用MATLAB将提取的应力用三维网格展现出来,可以为FLAC3D后续分析提供重要价值。

CoP修饰Ti_(3)C_(2)T_(x)MXene纳米复合材料作为高效析氢反应电催化剂

高效、经济和环保是电化学水分解制氢电催化剂的关键要素。二维(2D)MXene材料因其独特的物理化学性质而受到广泛关注。虽然有许多不同种类的MXene材料,但只有少数具有本征析氢反应(HER)催化活性。然而,MXene材料具有很多优点,如较大的比表面积、高电导率和丰富的表面官能团,因此可以作为与其他物质复合的理想平台。本研究首先通过密度泛函理论(DFT)预测了CoP与Ti_(3)C_(2)T_(x)MXene(其中T_(x)=―F和―OH官能团)具有低的氢吸附自由能(ΔGH^(*))。接着,我们合成了CoP-Ti_(3)C_(2)T_(x)MXene纳米复合材料,并在0.5 mol∙L^(−1)H_(2)SO_(4)中测试了其电催化HER性能。该材料在电流密度为10 mA∙cm^(−2)时表现出了低的过电位(135 mV)和Tafel斜率为48 mV∙dec^(−1)。理论计算表明,CoP-Ti_(3)C_(2)T_(x)MXene纳米复合材料的优异电催化性能源于Ti_(3)C_(2)T_(x)的高金属导电性、良好的界面电荷转移、快速的氢吸附/解吸过程以及优化的电子结构。

Optimizing the Performance of CsPbI3-Based Perovskite Solar Cells via Doping a ZnO Electron Transport Layer Coupled with Interface Engineering

Interface engineering has been regarded as an effective and noninvasive means to optimize the performance of perovskite solar cells(PSCs).Here,doping engineering of a ZnO electron transport layer(ETL)and CsPbI3/ZnO interface engineering via introduction of an interfacial layer are employed to improve the performances of CsPbI3-based PSCs.The results show that when introducing a TiO2 buffer layer while increasing the ZnO layer doping concentration,the open-circuit voltage,power conversion efficiency,and fill factor of the CsPbI3-based PSCs can be improved to 1.31 V,21.06%,and 74.07%,respectively,which are superior to those of PSCs only modified by the TiO2 buffer layer or high-concentration doping of ZnO layer.On the one hand,the buffer layer relieves the band bending and structural disorder of CsPbI3.On the other hand,the increased doping concentration of the ZnO layer improves the conductivity of the TiO2/ZnO bilayer ETL because of the strong interaction between the TiO2 and ZnO layers.However,such phenomena are not observed for those of a PCBM/ZnO bilayer ETL because of the weak interlayer interaction of the PCBM/ZnO interface.These results provide a comprehensive understanding of the CsPbI3/ZnO interface and suggest a guideline to design high-performance PSCs.

Interface electron collaborative migration of Co–Co3O4/carbon dots:Boosting the hydrolytic dehydrogenation of ammonia borane

Ammonia borane(AB)is an excellent candidate for the chemical storage of hydrogen.However,its practical utilization for hydrogen production is hindered by the need for expensive noble-metal-based catalysts.Herein,we report Co-Co3O4 nanoparticles(NPs)facilely deposited on carbon dots(CDs)as a highly efficient,robust,and noble-metal-free catalyst for the hydrolysis of AB.The incorporation of the multiinterfaces between Co,Co3O4 NPs,and CDs endows this hybrid material with excellent catalytic activity(rB=6816 mLH2 min^-1 gCo^-1)exceeding that of previous non-noble-metal NP systems and even that of some noble-metal NP systems.A further mechanistic study suggests that these interfacial interactions can affect the electronic structures of interfacial atoms and provide abundant adsorption sites for AB and water molecules,resulting in a low energy barrier for the activation of reactive molecules and thus substantial improvement of the catalytic rate.

Implementation and verification of interface constitutive model in FLAC^(3D)

Due to the complexity of soil-structure interaction, simple constitutive models typically used for interface elements in general computer programs cannot satisfy the requirements of discontinuous deformation analysis of structures that contain different interfaces. In order to simulate the strain-softening characteristics of interfaces, a nonlinear strain-softening interface constitutive model was incorporated into fast Lagrange analysis of continua in three dimensions （FLAC3D） through a user-defined program in the FISH environment. A numerical simulation of a direct shear test for geosynthetic interfaces was conducted to verify that the interface model was implemented correctly. Results of the numerical tests show good agreement with the results obtained from theoretical calculations, indicating that the model incorporated into FLAC3D can simulate the nonlinear strain-softening behavior of interfaces involving geosynthetic materials. The results confirmed the validity and reliability of the improved interface model. The procedure and method of implementing an interface constitutive model into a commercial computer program also provide a reference for implementation of a new interface constitutive model in FLAC3D.

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.

Effect of near isothermal forging on the microstructure of Ti_3Al/TC11 welding interface

The as-forged Ti3Al-based alloy and TC11 titanium alloy were welded by electron beams in vacuum, and then they were processed using near isothermal forging and gradient heat treatment. The experimental results show that the near isothermal forging processing parameters have little effect on the phase constitution of the weld. The weld consists of Ti2AlNb, MoNb, Nb3Al, and TiAl3 phases as well as the two main phases of α and α2. However, the near isothermal forging processing parameters have significant effect on the shape, size, and volume fraction of α and α2 phases of the welding interface. The sizes of the α and α2 phases increase as the strain rate decreases. Because the distortion energy of the lattice and the volume fraction of the grains occurring in dynamic recrystallization increase with an increase in deformation, the sizes of the α and α2 phases of the welding interface decrease.

离子液体界面修饰的高效稳定FAPbI_(3)钙钛矿太阳能电池

碘铅甲眯(FAPbI_(3))钙钛矿太阳能电池因其优异的光伏性能而受到广泛关注,但器件的长期稳定性仍然是FAPbI_(3)太阳能电池的关键问题。FAPbI_(3)黑色钙钛矿相在室温下会相变为黄色非钙钛矿相,且水分会加速这一相变。界面工程是提高钙钛矿太阳能电池稳定性的常用方法之一。作为绿色溶剂,离子液体被认为是有毒界面修饰剂的潜在替代品,这也提高了它们的商业可行性,并加速了它们在可再生能源市场的应用。本研究利用具有低挥发性、低毒性、高导电性和高热稳定性的离子液体1-乙基-3-甲基咪唑四氟硼酸盐(EMIM[BF_(4)])来修饰钙钛矿太阳能电池的电子传输层和钙钛矿层之间的界面。离子液体的引入不仅减少了界面缺陷,而且提高了钙钛矿薄膜的质量。密度泛函理论计算表明,离子液体与钙钛矿表面之间存在较强的界面相互作用,有利于降低钙钛矿表面缺陷态密度,稳定钙钛矿晶格。除钙钛矿薄膜缺陷外,溶液处理的SnO_(2)也存在表面缺陷。在SnO_(2)表面的缺陷产生缺陷态,也会导致能带对准问题和稳定性问题。密度泛函理论计算表明,有离子液体的表面间隙态比没有离子液体的表面间隙态小,这种减弱的表面间隙态表明表面区域载流子复合减少,有利于提高器件性能。因此,我们实现了功率转换效率大于22%的离子液体修饰的FAPbI_(3)钙钛矿太阳能电池(对照21%)。在相对湿度~20%的干箱中存放1800h以上后,冠军器件保留了初始状态的~90%,而控制器件降解为非钙钛矿黄色六方相(δ-FAPbI_(3))。

XRD and TEM Analysis in the Interface of Diffusion Bonding for Fe_3Al/Q235 Dissimilar Materials

Phase structure characteristics near the interface of Fe3Al/Q235 diffusion bonding are investigated by means of X raydiffraction (XRD), transmission electronic microscope (TEM) and electron diffraction, etc. The test results indicatedthat obviously a diffusion transition zone forms near the interface of Fe3Al/Q235 under the condition of heatingtemperature 1050~1100℃, holding time 60 min and pressure 9.8 MPa, which indicated that the diffusion interfaceof Fe3Al/Q235 was combined well. The diffusion transition zone consisted of Fe3Al and a-Fe(Al) solid solution.Microhardness near the diffusion transition zone was HM 480~540. There was not brittle phase of high hardness inthe interface transition zone. This is favorable to enhance toughness of Fe3Al/Q235 diffusion joint.

Inversion of 3D density interface with PSO-BP method

BP( Back Propagation) neural network and PSO( Particle Swarm Optimization) are two main heuristic optimization methods,and are usually used as nonlinear inversion methods in geophysics. The authors applied BP neural network and BP neural network optimized with PSO into the inversion of 3D density interface respectively,and a comparison was drawn to demonstrate the inversion results. To start with,a synthetic density interface model was created and we used the proceeding inversion methods to test their effectiveness. And then two methods were applied into the inversion of the depth of Moho interface. According to the results,it is clear to find that the application effect of PSO-BP is better than that of BP network. The BP network structures used in both synthetic and field data are consistent in order to obtain preferable inversion results. The applications in synthetic and field tests demonstrate that PSO-BP is a fast and effective method in the inversion of 3D density interface and the optimization effect is evident compared with BP neural network merely,and thus,this method has practical value.

Study on Interface between Sub-micron Particles and Matrix in Al_2O_3p/Al Composites

The microstructural characteristic of 1070AI matrix composites reinforced by 0.15 祄 AI2O3 particles whose volume fraction was 40% was investigated by TEM and HREM. The results showed that the interface between the matrix and reinforcements was clean and bonded well, without any interfacial reaction products. There were some preferential crystallographic orientation relationships between Al matrix and AI2O3 particle because of the lattice imperfection on the surface of Al2O3 particles.

Enhancing catalytic toluene oxidation over MnO2@Co3O4 by constructing a coupled interface

Herein,a bottom-down design is presented to successfully fabricate ZIF-derived Co3O4,grown in situ on a one-dimensional(1D)α-MnO2 material,denoted as α-MnO2@Co3O4.The synergistic effect derived from the coupled interface constructed betweenα-MnO2 and Co3O4 is responsible for the enhanced catalytic activity.The resultantα-MnO2@Co3O4 catalyst exhibits excellent catalytic activity at a T90%(temperature required to achieve a toluene conversion of 90%)of approximately 229℃,which is 47 and 28℃ lower than those of the pureα-MnO2 nanowire and Co3O4-b obtained via pyrolysis of ZIF-67,respectively.This activity is attributed to the increase in the number of surface-adsorbed oxygen species,which accelerate the oxygen mobility and enhance the redox pairs of Mn^4+/Mn^3+ and Co^2+/Co^3+.Moreover,the result of in situ diffuse reflectance infrared Fourier transform spectroscopy suggests that the gaseous oxygen could be more easily activated to adsorbed oxygen species on the surface of α-MnO2@Co3O4 than on that of α-MnO2.The catalytic reaction route of toluene oxidation over theα-MnO2@Co3O4 catalyst is as follows:toluene→benzoate species→alkanes containing oxygen functional group→CO2 and H2O.In addition,the α-MnO2@Co3O4 catalyst shows excellent stability and good water resistance for toluene oxidation.Furthermore,the preparation method can be extended to other 1D MnO2 materials.A new strategy for the development of high-performance catalysts of practical significance is provided.

Seismic traveltime inversion of 3D velocity model with triangulated interfaces

Seismic traveltime tomographic inversion has played an important role in detecting the internal structure of the solid earth. We use a set of blocks to approximate geologically complex media that cannot be well described by layered models or cells. The geological body is described as an aggregate of arbitrarily shaped blocks,which are separated by triangulated interfaces. We can describe the media as homogenous or heterogeneous in each block. We define the velocities at the given rectangle grid points for each block,and the heterogeneous velocities in each block can be calculated by a linear interpolation algorithm. The parameters of the velocity grid positions are independent of the model parameterization,which is advantageous in the joint inversion of the velocities and the node depths of an interface. We implement a segmentally iterative ray tracer to calculate traveltimes in the 3D heterogeneous block models.The damped least squares method is employed in seismic traveltime inversion,which includes the partial derivatives of traveltime with respect to the depths of nodes in the triangulated interfaces and velocities defined in rectangular grids. The numerical tests indicate that the node depths of a triangulated interface and homogeneous velocity distributions can be well inverted in a stratified model.

MiR-142-3p Regulates ILC1s by Targeting HMGB1 via the NF-κB Pathway in a Mouse Model of Early Pregnancy Loss

Objective Innate lymphoid cells(ILCs)are a class of newly discovered immunocytes.Group 1 ILCs(ILC1s)are identified in the decidua of humans and mice.High mobility group box 1(HMGB1)is predicted to be one of the target genes of miR-142-3p,which is closely related to pregnancy-related diseases.Furthermore,miR-142-3p and HMGB1 are involved in regulating the NF-κB signaling pathway.This study aimed to examine the regulatory effect of miR-142-3p on ILC1s and the underlying mechanism involving HMGB1 and the NF-κB signaling pathway.Methods Mouse models of normal pregnancy and abortion were constructed,and the alterations of ILC1s,miR-142-3p,ILC1 transcription factor(T-bet),and pro-inflammatory cytokines of ILC1s(TNF-α,IFN-γand IL-2)were detected in mice from different groups.The targeting regulation of HMGB1 by miR-142-3p in ILC1s,and the expression of HMGB1 in normal pregnant mice and abortive mice were investigated.In addition,the regulatory effects of miR-142-3p and HMGB1 on ILC1s were detected in vitro by CCK-8,Annexin-V/PI,ELISA,and RT-PCR,respectively.Furthermore,changes of the NF-κB signaling pathway in ILC1s were examined in the different groups.For the in vivo studies,miR-142-3p-Agomir was injected in the uterus of abortive mice to evaluate the abortion rate and alterations of ILC1s at the maternal-fetal interface,and further detect the expression of HMGB1,pro-inflammatory cytokines,and the NF-κB signaling pathway.Results The number of ILC1s was significantly increased,the level of HMGB1 was significantly upregulated,and that of miR-142-3p was considerably downregulated in the abortive mice as compared with the normal pregnant mice(all P<0.05).In addition,miR-142-3p was found to drastically inhibit the activation of the NF-κB signaling pathway(P<0.05).The number of ILC1s and the levels of pro-inflammatory cytokines were significantly downregulated and the activation of the NF-κB signaling pathway was inhibited in the miR-142-3p Agomir group(all P<0.05).Conclusion miR-142-3p can regulate ILC1s by targeting HMGB1 via the NF-κB signaling pathway,and attenuate the inflammation at the maternal-fetal interface in abortive mice.

Interface-enhanced thermoelectric output power in CrN/SrTiO_(3-x) heterostructure

Thermoelectric devices enable direct conversion between thermal and electrical energy.Recent studies have indicated that the thin film/substrate heterostructure is effective in achieving high thermoelectric performance via decoupling the Seebeck coefficient and electrical conductivity otherwise adversely inter-dependent in homogenous bulk materials.However,the mechanism underlying the thin film/substrate heterostructure thermoelectricity remains unclear.In addition,the power output of the thin film/substrate heterostructure is limited to the nanowatt scale to date,falling short of the practical application requirement.Here,we fabricated the CrN/SrTiO_(3-x) heterostructures with high thermoelectric output power and outstanding thermal stability.By varying the CrN film thickness and the reduction degree of CrN/SrTiO_(3-x) substrate,the optimized power output and the power density have respectively reached 276μWand 10^(8) mW/cm^(2) for the 30 nm CrN film on a highly reduced surface of CrN/SrTiO_(3-x) under a temperature difference of 300 K.The performance enhancement is attributed to the CrN/CrN/SrTiO_(3-x) heterointerface,corroborated by the band bending as revealed by the scanning Kelvin probe microscopy.These results will stimulate further research efforts towards interface thermoelectrics.