Improved Efficiency and Stability of Organic Solar Cells by Interface Modification Using Atomic Layer Deposition of Ultrathin Aluminum Oxide

The interfacial contacts between the electron transporting layers(ETLs)and the photoactive layers are crucial to device performance and stability for OSCs with inverted architecture.Herein,atomic layer deposition(ALD)fabricated ultrathin Al_(2)O_(3)layers are applied to modify the ETLs/active blends(PM6:BTP-BO-4F)interfaces of OSCs,thus improving device performance.The ALD-Al_(2)O_(3)thin layers on ZnO significantly improved its surface morphology,which led to the decreased work function of ZnO and reduced recombination losses in devices.The simultaneous increase in open-circuit voltage(V_(OC)),short-circuit current density(J_(SC))and fill factor(FF)were achieved for the OSCs incorporated with ALD-Al_(2)O_(3)interlayers of a certain thickness,which produced a maximum PCE of 16.61%.Moreover,the ALD-Al_(2)O_(3)interlayers had significantly enhanced device stability by suppressing degradation of the photoactive layers induced by the photocatalytic activity of ZnO and passivating surface defects of ZnO that may play the role of active sites for the adsorption of oxygen and moisture.

Recent progress of hybrid cathode interface layer for organic solar cells

Organic solar cells(OSCs)have gained conspicuous progress during the past few decades due to the development of materials and upgrading of the device structure.The power conversion efficiency(PCE)of the single-junction device had surpassed 19%.The cathode interface layer(CIL),by optimizing the connection between the active layer and the cathode electrode,has become a momentous part to strengthen the performances of the OSCs.Simultaneously,CIL is also indispensable to illustrating the working mechanism of OSCs and enhancing the stability of the OSCs.In this essay,hybrid CILs in OSCs have been summarized.Firstly,the advancement and operating mechanism of OSCs,and the effects and relevant design rules of CIL are briefly concluded;secondly,the significant influence of CIL on enhancing the stability and PCE of OSCs is presented;thirdly,the characteristics of organic hybrid CIL and organic-inorganic hybrid CIL are introduced.Finally,the conclusion and outlook of CIL are summarized.

A coupled Legendre-Laguerre polynomial method with analytical integration for the Rayleigh waves in a quasicrystal layered half-space with an imperfect interface

The Laguerre polynomial method has been successfully used to investigate the dynamic responses of a half-space.However,it fails to obtain the correct stress at the interfaces in a layered half-space,especially when there are significant differences in material properties.Therefore,a coupled Legendre-Laguerre polynomial method with analytical integration is proposed.The Rayleigh waves in a one-dimensional(1D)hexagonal quasicrystal(QC)layered half-space with an imperfect interface are investigated.The correctness is validated by comparison with available results.Its computation efficiency is analyzed.The dispersion curves of the phase velocity,displacement distributions,and stress distributions are illustrated.The effects of the phonon-phason coupling and imperfect interface coefficients on the wave characteristics are investigated.Some novel findings reveal that the proposed method is highly efficient for addressing the Rayleigh waves in a QC layered half-space.It can save over 99%of the computation time.This method can be expanded to investigate waves in various layered half-spaces,including earth-layered media and surface acoustic wave(SAW)devices.

Databases of 2D material-substrate interfaces and 2D charged building blocks

Discovery of materials using“bottom-up”or“top-down”approach is of great interest in materials science.Layered materials consisting of two-dimensional(2D)building blocks provide a good platform to explore new materials in this respect.In van der Waals(vdW)layered materials,these building blocks are charge neutral and can be isolated from their bulk phase(top-down),but usually grow on substrate.In ionic layered materials,they are charged and usually cannot exist independently but can serve as motifs to construct new materials(bottom-up).In this paper,we introduce our recently constructed databases for 2D material-substrate interface(2DMSI),and 2D charged building blocks.For 2DMSI database,we systematically build a workflow to predict appropriate substrates and their geometries at substrates,and construct the 2DMSI database.For the 2D charged building block database,1208 entries from bulk material database are identified.Information of crystal structure,valence state,source,dimension and so on is provided for each entry with a json format.We also show its application in designing and searching for new functional layered materials.The 2DMSI database,building block database,and designed layered materials are available in Science Data Bank at https://doi.org/10.57760/sciencedb.j00113.00188.

Influence of heat input on microhardness and microstructure across the welding interface between stainless steel and low alloy steel

The welding interface is crucial to the service safety of dissimilar metal weld(DMW)joints between stainless steel(SS)and low alloy(LA)steel.Different status of welding interfaces was prepared by cladding SS consumables to LA steel substrates with different heat inputs via tungsten inert gas arc welding(TIG),followed by a series of microstructural characterizations and hardness tests.Results showed that a hardening and transition layer(TL)would be generated along the welding interface,and the width and hardening degree of the TL would increase with the heat input.Meanwhile,heavy load hardness tests showed that highly severe inhomogeneous plastic deformation and the microcrack would be generated in the interfacial region and the welding interface respectively in the highest heat input sample(1.03 kJ/mm).These results indicate that the increase in heat input would deteriorate the bonding performance of DMW joints.Further microstructural observations showed that the higher hardening degree of the highest heat input sample was mainly attributed to the stronger grain boundary,solution,and dislocation strengthening effects.

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.

Boundary Conditions for Momentum and Vorticity at an Interface between Two Fluids

Boundary conditions for momentum and vorticity have been precisely derived, paying attention to the physical meaning of each mathematical expression of terms rigorously obtained from the basic equations: Navier-Stokes equation and the equation of vorticity transport. It has been shown first that a contribution of fluid molecules crossing over a conceptual surface moving with fluid velocity due to their fluctuating motion is essentially important to understanding transport phenomena of momentum and vorticity. A notion of surface layers, which are thin layers at both sides of an interface, has been introduced next to elucidate the transporting mechanism of momentum and vorticity from one phase to the other at an interface through which no fluid molecules are crossing over. A fact that a size of δV, in which reliable values of density, momentum, and velocity of fluid are respectively defined as a volume-averaged mass of fluid molecules, a volume-averaged momentum of fluid molecules and a mass-averaged velocity of fluid molecules, is not infinitesimal but finite has been one of the key factors leading to the boundary conditions for vorticity at an interface between two fluids. The most distinguished characteristics of the boundary conditions derived here are the zero-value conditions for a normal component of momentum flux and tangential components of vorticity flux, at an interface.

Effect of Defects at the Buffer Layer CdS/Absorber CIGS Interface on CIGS Solar Cell Performance

This scientific paper presents a study investigating the effects of defects at the CdS/CIGS and CdS/SDL interfaces on the performance of CIGS solar cells. The objective of this study is to analyze the influence of defects at the interface between the CdS buffer layer and the CIGS absorber, as well as the surface defect layer (SDL), on CIGS solar cell performance. The study explores three key aspects: the impact of the conduction band offset (CBO) at the CdS/CIGS interface, the effects of interface defects and defect density on performance, and the combined influence of CBO and defect density at the CdS/ SDL and SDL/CIGS interfaces. For interface defects not exceeding 1013 cm-2, we obtained a good efficiency of 22.9% when -0.1 eV analyzing the quality of CdS/SDL and SDL/CIGS junctions, it appears that defects at the SDL/CIGS interface have very little impact on the performances of the CIGS solar cell. By optimizing the electrical parameters of the CdS/SDL interface defects, we achieved a conversion efficiency of 23.1% when -0.05 eV < CBO < 0.05 eV.

Synergistic Optimization of Buried Interface by Multifunctional Organic-Inorganic Complexes for Highly Efficient Planar Perovskite Solar Cells

For the further improvement of the power conversion efficiency(PCE)and stability of perovskite solar cells(PSCs),the buried interface between the perovskite and the electron transport layer is crucial.However,it is challenging to effectively optimize this interface as it is buried beneath the perovskite film.Herein,we have designed and synthesized a series of multifunctional organic-inorganic(OI)complexes as buried interfacial material to promote electron extraction,as well as the crystal growth of the perovskite.The OI complex with BF4−group not only eliminates oxygen vacancies on the SnO_(2) surface but also balances energy level alignment between SnO_(2) and perovskite,providing a favorable environment for charge carrier extraction.Moreover,OI complex with amine(−NH_(2))functional group can regulate the crystallization of the perovskite film via interaction with PbI2,resulting in highly crystallized perovskite film with large grains and low defect density.Consequently,with rational molecular design,the PSCs with optimal OI complex buried interface layer which contains both BF4−and−NH_(2) functional groups yield a champion device efficiency of 23.69%.More importantly,the resulting unencapsulated device performs excellent ambient stability,maintaining over 90%of its initial efficiency after 2000 h storage,and excellent light stability of 91.5%remaining PCE in the maximum power point tracking measurement(under continuous 100 mW cm−2 light illumination in N2 atmosphere)after 500 h.

Nano silica aerogel-induced formation of an organic/alloy biphasic interfacial layer enables construction of stable high-energy lithium metal batteries

Lithium metal batteries represent promising candidates for high-energy-density batteries, however, many challenges must still be overcome,e.g., interface instability and dendrite growth. In this work, nano silica aerogel was employed to generate a hybrid film with high lithium ion conductivity(0.6 mS cm^(-1)at room temperature) via an in situ crosslinking reaction. TOF-SIMS profile analysis has revealed conversion mechanism of hybrid film to Li–Si alloy/Li F biphasic interface layer, suggesting that the Li–Si alloy and Li F-rich interface layer promoted rapid Li+transport and shielded the Li anodes from corrosive reactions with electrolyte-derived products. When coupled with nickel-cobalt-manganese-based cathodes, the batteries achieve outstanding capacity retention over 1000 cycles at 1 C. Additionally the developed film coated on Li enabled high coulombic efficiency(99.5%) after long-term cycling when coupled with S cathodes. Overall, the results presented herein confirm an effective strategy for the development of high-energy batteries.

Improvement in IBC-silicon solar cell performance by insertion of highly doped crystalline layer at heterojunction interfaces

By inserting a thin highly doped crystalline silicon layer between the base region and amorphous silicon layer in an interdigitated back-contact （IBC） silicon solar cell, a new passivation layer is investigated. The passivation layer performance is characterized by numerical simulations. Moreover, the dependence of the output parameters of the solar cell on the additional layer parameters （doping concentration and thickness） is studied. By optimizing the additional passivation layer in terms of doping concentration and thickness, the power conversion efficiency could be improved by a factor of 2.5%, open circuit voltage is increased by 30 mV and the fill factor of the solar cell by 7.4%. The performance enhancement is achieved due to the decrease of recombination rate, a decrease in solar cell resistivity and improvement of field effect passivation at heterojunction interface. The above-mentioned results are compared with reported results of the same conventional interdigitated back-contact silicon solar cell structure. Furthermore, the effect of a-Si：H/c-Si interface defect density on IBC silicon solar cell parameters with a new passivation layer is studied. The additional passivation layer also reduces the sensitivity of output parameter of solar cell to interface defect density.

Interface characteristics and wear resistance of Ni-B_(4)C plated ZTA reinforced high chromium cast iron composite

A chemical composite plating of Ni-B_(4)C was used to prepare the surface-modified zirconia toughened alumina(ZTA)ceramic particles.The ceramic preforms were prepared by the plated ZTA and sodium silicate solution binder,followed by casting infiltration to prepare the ZTA particles reinforced high chromium cast iron(HCCI)composites.The result reveals that a distinct interface layer forms at the ZTA/HCCI interface,which consists of phases of ZrB_(2),FeB,Fe_(2)B,and NaSiO_(4).The interfacial wettability between ZTA and HCCI is improved by the diffusion and reaction of Ni and B_(4)C.The wear test reveals that the Ni-B_(4)C plated ZTA particles can effectively improve the wear resistance of the ZTA/HCCI composite,and the wear rate of the composite is decreased to 11.6%of HCCI.

THE BOUNDARY LAYER SOLUTIONS OF THE INTERFACE PROBLEM CONSIDERING THE STRAIN GRADIENT

Acoording to the classical elastic theory, there is always adiscontinuity of rotation angle on the interface different materials.This illogic result can be overcome by the strain gradient plasticitytheory. In the light of this theory, there is a group of boundarylayer solutions near the in- terface, which have made importantadjustment of the classical results.

Effect of SDBS on interfacial electron transfer at the liquid/liquid interface by thin layer method

The effect of an adsorbed anionic surfactant sodium dodecyl benzene sulfonate （SDBS） on electron transfer （ET） reaction between ferricyanide aqueous solution and decamethylferrocene （DMFc） located on the adjacent organic phase was investigated for the first time by thin layer method. The adsorption of SDBS at the interface resulted in a decay in the cathodic plateau current of bimolecular reaction with increasing concentrations of SDBS in aqueous phase. However, the rate constant of electron transfer （ket） increased monotonically as the SDBS concentrations increased from 0 to 200 p, moFL. The experimental results showed that SDBS formed patches on the interface and influenced the structure of electrical double layer. 2009 Xiao Quan Lu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

Smart Interfacing between Co-Fe Layered Double Hydroxide and Graphitic Carbon Nitride for High-efficiency Electrocatalytic Nitrogen Reduction

Bimetallic compounds such as hydrotalcite-type layered double hydroxides(LDHs)are promising electrocatalysts owing to their unique electronic structures.However,their abilities toward nitrogen adsorption and reduction are undermined since the surface-mantled,electronegative-OH groups hinder the charge transfer between transition metal atoms and nitrogen molecules.Herein,a smart interfacing strategy is proposed to construct a coupled heterointerface between LDH and 2D g-C_(3)N_(4),which is proven by density functional theory(DFT)investigations to be favorable for nitrogen adsorption and ammonia desorption compared with neat LDH surface.The interfaced LDH and g-C_(3)N_(4) is further hybridized with a self-standing TiO_(2) nanofibrous membrane(NM)to maximize the interfacial effect owing to its high porosity and large surface area.Profited from the synergistic superiorities of the three components,the LDH@C_(3)N_(4)@TiO_(2) NM delivers superior ammonia yield(2.07×10^(−9) mol s^(−1) cm^(−2))and Faradaic efficiency(25.3%),making it a high-efficiency,noble-metal-free catalyst system toward electrocatalytic nitrogen reduction.

Robust interface layers with redox shuttle reactions suppress the dendrite growth for stable solid-state Li metal batteries

Designing a durable lithium metal anode for solid state batteries requires a controllable and uniform deposition of lithium, and the metal lithium layer should maintain a good interface contact with solid state electrolyte during cycles. In this work, we construct a robust functional interface layer on the modified LiB electrode which considerably improves the electrochemical stability of lithium metal electrode in solid state batteries. It is found that the functional interface layer consisting of polydioxolane, polyiodide ion and Li TFSI effectively restrains the growth of lithium dendrites through the redox shuttle reaction of I-/I3-and maintains a good contact between lithium anode and solid electrolyte during cycles. Benefit from these two advantages, the modified Li-B anode exhibits a remarkable cyclic performance in comparison with those of the bare Li-B anode.

Multiscale mechanics of noncovalent interface in graphene oxide layered nanocomposites

Noncovalent interfaces play a vital role in inelastic deformation and toughening mechanisms in layered nanocomposites due to their dynamical recoverability. When interfacial engineering is applied to design layered nanocomposites, shear-lag analysis is usually implemented to evaluate the capability of interfacial loading transfer. Here, we introduce a multiscale shear-lag model that correlates macroscale mechanical properties with the molecular mechanisms to quantify the effects of interfacial configuration in graphene oxide(GO) layered nanocomposites. By investigating the mechanical responses of commensurate and incommensurate interfaces, we identify that the commensurate interface exhibits a pronounced size effect due to the nucleation and propagation of interfacial defects, whereas the incommensurate interface displays uniform deformation. Our predictions are further validated through large-scale molecular dynamics simulations for GO layered nanocomposites. This work demonstrates how size effects and interfacial configurations can be exploited to fabricate layered nanocomposites with superior mechanical properties despite relying on weak noncovalent interfaces.

Unravelling the essential difference between TiO_(x) and AlO_(x) interface layers on Ta_(3)N_(5) photoanode for photoelectrochemical water oxidation

Tantalum nitride(Ta_(3)N_(5))is a very promising photoanode material due to its narrow band gap(2.1 eV)and suitable band alignment for solar water splitting.However,it suffers from severe photocorrosion during water oxidation.In this work,it was found that surface passivation by AlO_(x) and TiO_(x) layers results in dramatically different PEC performance of Ta_(3)N_(5) photoanode for water oxidation.The mechanism study indicates that the negative charges on AlO_(x) can generate additional field to promote separation of photogenerated charges,while the positive charges on TiO_(x) layer show the opposite effect.As a result,the Ta_(3)N_(5) based photoanode modified with AlO_(x) layer gives a high photocurrent of 12.5 mA cm^(-2) for 24 h at 1.23 V versus the reversible hydrogen electrode(RHE).Dynamic analysis implies that the hole extraction and transfer are significantly improved by the modification with the AlO_(x) layer.This work reveals the importance of the charges on surface passivation layer in interface engineering of photoelectrodes.

Role of acoustic interface layer during high intensity focused ultrasound therapeutics

After interface layer was simulated by the magnetic nano-particles in the egg white phantom, high intensity focused ultrasound （HIFU） at the same dosage was introduced to radiate the phantom in different depths to blow the acoustic interface layer to mimic ＂point＂ exposure. The results showed that the volumes of biological focal region （BFR） were enlarged when the acoustic focal region （AFR） is close with interface layer. This meant that the magnetic nano-particles enhanced the therapeutic efficiency of HIFU. When the distance of the AFR from the interface layer was 10 mm, the size and shape of the BFR were similar with those of the control group, but a larger lesion at the interface, which was harmful for treatment, was observed. When the distance of the AFR to the interface layer increased to 30 mm, the size and shape of the BFR were also similar to those of the control group. When the thickness of the interface layer diminished, the utility of enhancement decreased. Continuous increase of the safe area for treatment and decrease of the utility of enhancement were observed along with the abatement of the thickness of the interface layer

TiO_(2)Electron Transport Layer with p-n Homojunctions for Efficient and Stable Perovskite Solar Cells

Low-temperature processed electron transport layer(ETL)of TiO_(2)that is widely used in planar perovskite solar cells(PSCs)has inherent low carrier mobility,resulting in insufficient photogenerated elec-tron transport and thus recombination loss at buried interface.Herein,we demonstrate an effective strategy of laser embedding of p-n homojunctions in the TiO_(2)ETL to accelerate electron transport in PSCs,through localized build-in electric fields that enables boosted electron mobility by two orders of magnitude.Such embedding is found significantly helpful for not only the enhanced crystallization quality of TiO_(2)ETL,but the fabrication of perovskite films with larger-grain and the less-trap-states.The embedded p-n homojunction enables also the modulation of interfacial energy level between perovskite layers and ETLs,favoring for the reduced voltage deficit of PSCs.Benefiting from these merits,the formamidinium lead iodide(FAPbI_(3))PSCs employing such ETLs deliver a champion efficiency of 25.50%,along with much-improved device stability under harsh conditions,i.e.,maintain over 95%of their initial efficiency after operation at maximum power point under continuous heat and illumination for 500 h,as well as mixed-cation PSCs with a champion efficiency of 22.02%and over 3000 h of ambient storage under humidity stability of 40%.Present study offers new possibilities of regulating charge transport layers via p-n homojunction embedding for high performance optoelectronics.