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.

Dynamic behavior of tunneling triboelectric charges in two-dimensional materials

Although the research history of triboelectrification has been more than 2000 years, there are still many problems to be solved so far.The use of scanning probe microscopy provides an important way to quantitatively study the transfer, accumulation, and dissipation of triboelectric charges in the process of triboelectrification. Two-dimensional materials are considered to be key materials for new electronic devices in the post-Moore era due to their atomic-scale size advantages. If the electrostatic field generated by triboelectrification can be used to replace the traditional gate electrostatic field, it is expected to simplify the structure of two-dimensional electronic devices and reconfigure them at any time according to actual needs. Here, we investigate the triboelectrification process of various two-dimensional materials such as MoS_(2), WSe_(2),and ZnO. Different from traditional bulk materials, after two-dimensional materials are rubbed, the triboelectric charges generated may tunnel through the two-dimensional materials to the underlying substrate surface. Because the tunneling triboelectric charge is protected by the twodimensional material, its stable residence time on the substrate surface can reach more than 7 days, which is more than tens of minutes for the traditional triboelectric charge. In addition, the electrostatic field generated by the tunneling triboelectric charge can effectively regulate the carrier transport performance of two-dimensional materials, and the source–drain current of the field effect device regulated by the triboelectric floating gate is increased by nearly 60 times. The triboelectric charge tunneling phenomenon in two-dimensional materials is expected to be applied in the fields of new two-dimensional electronic devices and reconfigurable functional circuits.

Organic cathode materials for rechargeable magnesium-ion batteries:Fundamentals, recent advances, and approaches to optimization

Rechargeable magnesium-ion batteries(MIBs) are favorable substitutes for conventional lithium-ion batteries(LIBs) because of abundant magnesium reserves, a high theoretical energy density, and great inherent safety. Organic electrode materials with excellent structural tunability,unique coordination reaction mechanisms, and environmental friendliness offer great potential to promote the electrochemical performance of MIBs. However, research on organic magnesium battery cathode materials is still preliminary with many significant challenges to be resolved including low electrical conductivity and unwanted but severe dissolution in useful electrolytes. Herein, we provide a detailed overview of reported organic cathode materials for MIBs. We begin with basic properties such as charge storage mechanisms(e.g., n-, p-, and bipolartype), moving to recent advances in various types of organic cathodes including carbonyl-, nitrogen-, and sulfur-based materials. To shed light on the diverse strategies targeting high-performance Mg-organic batteries, elaborate summaries of various approaches are presented.Generally, these strategies include molecular design, polymerization, mixing with carbon, nanosizing and electrolyte/separator optimization.This review provides insights on exploring high-performance organic cathodes in rechargeable MIBs.

Charging of Materials Non-Metallic Used in Underground Mines Endangered by Firedamp and/or Coal Dust

The expansion parts and components of non-metallic in devices have become a fait accompli. In the case parts, components of non-metallic are used in atmospheres explosive and may be a potential source of ignition [1]. Ignition hazards due to static electricity from the charged non-conductive non-metallic materials are well known [2]. The prevalence protection metal parts and components of anti-corrosion exist in any device equipped with a metal casing. Inherent risks associated services are caused by static electricity. Electrostatic phenomena arise in many situations, in a variety of environments and industries. The occurrence of charge static in many cases unexpected is unwanted and requires the use of expensive preventive measures. Brush discharge and propagating brush discharge (e.g. composite coating about non-conductive electrostatic properties of an isolated base conductive) create explosion hazard in underground endangered by firedamp and/or coal dust [3].

Bore-center annular shaped charges with different liner materials penetrating into steel targets

The bore-center annular shaped charge(BCASC)is a new type of shaped charge which can generate a larger-diameter hole in steel targets than classical shaped charges.In this paper,the influence of three liner materials,i.e.molybdenum,nickel and copper,on BCASC formation and penetrating into steel targets was investigated by experiment and numerical simulation.The simulation results were well consistent with the experimental results.This study showed that,at 0.50D standoff distance,the axial velocity of the molybdenum projectile was lower than that of the nickel and copper projectiles.The nickel and copper projectiles had almost the same head velocity.The absolute values of the radial velocity of the molybdenum projectile head was lower than that of the nickel and copper projectiles.However,at 0.75D standoff distance,the absolute values of the radial velocity of the molybdenum projectile head became much greater than that of the nickel and copper projectile heads.The projectile formed by BCASC with the molybdenum liner had the highest penetration depth of 61.5 mm,which was 10.0%and 21.3%higher than that generated by the copper and nickel projectiles.

Supplementary Materials: Ultrafast charge transfer in dual graphene-WS_2 van der Waals quadrilayer heterostructures

1. The transient absorption spectra of the WS2 monolayer sample.In the measurement of the transient absorption spectra of the WS2 monolayer sample, A 400-nm (3.1eV) pump pulse with a peak fluence of about 10μJ/cm2excites the electrons from the valence band into the conduction band,the

Time-Temperature Charge Function of a High Dynamic Thermal Heat Storage with Phase Change Material

A thermal heat storage system with an energy content of 40 kWh and a temperature of 58°C will be presented. This storage system is suitable for supporting the use of renewable energies in buildings and for absorbing solar heat, heat from co-generation and heat pumps or electric heat from excess wind and solar power. The storage system is equipped with a plate heat exchanger that is so powerful that even with small temperature differences between the flow temperature and the storage temperature a high load dynamic is achieved. The storage system has a performance of 2.8 kW at 4 K and 10.6 kW at a temperature difference of 10 K. Thus, large performance variations in solar thermal systems or CHP plants can be buffered very well. Further a storage charge function Q(T, t) will be presented to characterize the performance of the storage.

Effects of Hydrogen Charging Time and Pressure on the Hydrogen Embrittlement Susceptibility of X52 Pipeline Steel Material

The effects of hydrogen charging time and pressure on the hydrogen embrittlement(HE)susceptibility of X52 pipeline steel material are studied by slow strain rate tensile tests.The fracture morphologies of the specimens are observed by scanning electron microscopy.The HE susceptibility of the X52 pipeline steel material increases with an increase in both hydrogen charging time and hydrogen pressure.At a charging time of 96 h,the HE susceptibility index reaches 45.86%,approximately 3.6 times that at a charging time of 0 h.Similarly,a charging pressure of 4 MPa results in a HE susceptibility index of 31.61%,approximately 2.5 times higher than that at a charging pressure of 0.3 MPa.

Mesoporous molecular sieve confined phase change materials with high absorption,enhanced thermal conductivity,and cooling energy charging/discharging capacity

The biggest challenge for organic phase change materials(PCMs)used in cold energy storage is to maintain high heat storage capacity while reducing the leakage risk of PCMs during the phase transition process.This is crucial for expanding their applications in the more demanding cold storage field.In this study,novel formstable low-temperature composite PCMs are prepared with mesoporous materials,namely SBA-15 and CMK-3(which are prepared using the template method),as supporting matrices and dodecane as the PCM.Owing to the combined effects of capillary forces within mesoporous materials and interactions among dodecane molecules,both dodecane/SBA-15 and dodecane/CMK-3 exhibit outstanding shape stability and thermal cycling stability even after 200 heating/cooling cycles.In comparison to those of dodecane/SBA-15,dodecane/CMK-3 exhibits superior cold storage performance and higher thermal conductivity.Specifically,the phase transition temperature of dodecane/CMK-3 is-8.81℃ with a latent heat of 122.4 J·g^(-1).Additionally,it has a thermal conductivity of 1.21 W·m^(-1)·K^(-1),which is 9.45 times that of dodecane alone.All these highlight its significant potential for applications in the area of cold energy storage.

Mechanistic understanding of the charge storage processes in FeF_(2) aggregates assembled with cylindrical nanoparticles as a cathode material for lithium-ion batteries by in situ magnetometry

Transition metal fluorides(TMFs)cathode materials have shown extraordinary promises for electrochemical energy storage,but the understanding of their electrochemical reaction mechanisms is still a matter of debate due to the complicated and continuous changing in the battery internal environment.Here,we design a novel iron fluoride(FeF_(2))aggregate assembled with cylindrical nanoparticles as cathode material to build FeF_(2) lithium-ion batteries(LIBs)and employ advanced in situ magnetometry to detect their intrinsic electronic structure during cycling in real time.The results show that FeF_(2) cannot be involved in complete conversion reactions when the FeF_(2) LIBs operate between the conventional voltage range of 1.0–4.0 V,and that the corresponding conversion ratio of FeF_(2) can be further estimated.Importantly,we first demonstrate that the spin-polarized surface capacitance exists in the FeF_(2) cathode by monitoring the magnetic responses over various voltage ranges.The research presents an original and insightful method to examine the conversion mechanism of TMFs and significantly provides an important reference for the future artificial design of energy systems based on spinpolarized surface capacitance.

Effect of wave shaper on reactive materials jet formation and its penetration performance

Wave shaper effect on formation behavior and penetration performance of reactive liner shaped charge(RLSC)are investigated by experiments and simulations.The reactive materials liner with a density of2.3 g/cm^3 is fabricated by cold pressing at a pressure of 300 MPa and sintering at a temperature of 380℃.Experiments of the RLSC with and without wave shaper against steel plates are carried out at standoffs of0.5,1.0,and 1.5 CD(charge diameter),respectively.The experimental results show that the penetration depths and structural damage effects of steel plates decrease with increasing the standoff,while the penetration depths and the damage effects of RLSC without wave shaper are much greater than that with wave shaper at the same standoff.To understand the unusual experimental results,numerical simulations based on AUTODYN-2 D code are conducted to discuss the wave shaper effect,including the propagation behavior of detonation wave,the velocity and temperature distribution of reactive jet,and penetration depth of reactive jet.The simulations indicate that,compared with RLSC without wave shaper,there is a higher temperature produced inside reactive jet with wave shaper.This unusual temperature rise effects are likely to be an important mechanism to cause the initiation delay time of reactive jet to decline,which results in significantly decreasing its penetration performance.

A facile preparation of 3D flower-shaped Ni/Al-LDHs covered by β-Ni(OH)2 nanoplates as superior material for high power application

In the present study,we propose a novel electrode material ofβ-nickel hydroxide covering nickel/aluminum layered double hydroxides via a facile complexation–precipitation method.The as-obtained materials with 3-dimensional nanostructures are further utilized as highly capable electrode material in nickel–metal hydride batteries.The electrochemical test results demonstrated theβ-nickel hydroxide covering nickel/aluminum-layered double hydroxides with 28%ofβ-nickel hydroxide provided a superior specific capacity value of 452 m A·h·g-1 in a current density of 5 A·g-1 using 6 M KOH as electrolyte as compared with other materials.In addition,the optimized sample displays an outstanding cyclic stability along with a huge specific capacity value of320 m Ah·g-1,and very small decay rate of 3.3%at 50 A·g-1 after 3000 cycles of charge/discharge test.These indicate that the newly designed material with nanostructures not only provides an efficient contact interface between electrolyte and active species and facilitates the transport of electrons and ions,but also protects the 3-dimensional nickel/aluminum layered double hydroxides,achieving a high specific capacity,fast redox reaction and excellent long-term cyclic stability.Therefore,theβ-nickel hydroxide covering nickel/aluminum layered double hydroxides with superior electrochemical performance is predictable to be a gifted electrode material in nickel–metal hydride batteries.

Recent Progress in the Fabrication, Properties, and Devices of Heterostructures Based on 2D Materials

With a large number of researches being conducted on two?dimen?sional(2D) materials, their unique properties in optics, electrics, mechanics, and magnetics have attracted increasing attention. Accordingly, the idea of combining distinct functional 2D materials into heterostructures naturally emerged that pro?vides unprecedented platforms for exploring new physics that are not accessible in a single 2D material or 3D heterostructures. Along with the rapid development of controllable, scalable, and programmed synthesis techniques of high?quality 2D heterostructures, various heterostructure devices with extraordinary performance have been designed and fabricated, including tunneling transistors, photodetectors, and spintronic devices. In this review, we present a summary of the latest progresses in fabrications, properties, and applications of di erent types of 2D heterostruc?tures, followed by the discussions on present challenges and perspectives of further investigations.

Progress in hole-transporting materials for perovskite solar cells

In recent years the photovoltaic community has witnessed the unprecedented development of perovskite solar cells（PSCs） as they have taken the lead in emergent photovoltaic technologies. The power conversion efficiency of this new class of solar cells has been increased to a point where they are beginning to compete with more established technologies. Although PSCs have evolved a variety of structures, the use of hole-transporting materials（HTMs） remains indispensable. Here, an overview of the various types of available HTMs is presented. This includes organic and inorganic HTMs and is presented alongside recent progress in associated aspects of PSCs, including device architectures and fabrication techniques to produce high-quality perovskite films. The structure, electrochemistry, and physical properties of a variety of HTMs are discussed, highlighting considerations for those designing new HTMs. Finally, an outlook is presented to provide more concrete direction for the development and optimization of HTMs for highefficiency PSCs.

Review on engineering two-dimensional nanomaterials for promoting efficiency and stability of perovskite solar cells

Perovskite solar cell(PSC) has gradually shown its great superiority in photovoltaic filed to compete commercial solar cells owing to its great advantages, such as high efficiency and low fabrication cost. On the way towards commercialization, great efforts have been achieved by accelerating charge extraction and reducing carrier recombination. Recently, two-dimensional(2 D) layered materials have attracted increasing interests for application in PSCs due to their distinctive chemical and physical properties, such as high carrier mobility and tunable bandgap, which greatly determines the perovskite film growth kinetics, carrier transfer and stability of PSCs. Therefore, with the aim to better understand their recent development and application in PSC, in this review, the emerging 2D materials beyond graphene as charge transport layers, buffer layers and additives in perovskite film for enhancing the efficiency and stability of PSCs are summarized. However, there are still some crucial challenges to be addressed for commercialization. Finally, the challenges and prospects of these 2D nanomaterials for application in PSCs are further proposed for future development.

Electrochemical Proton Storage:From Fundamental Understanding to Materials to Devices

Simultaneously improving the energy density and power density of electrochemical energy storage systems is the ultimate goal of electrochemical energy storage technology.An effective strategy to achieve this goal is to take advantage of the high capacity and rapid kinetics of electrochemical proton storage to break through the power limit of batteries and the energy limit of capacitors.This article aims to review the research progress on the physicochemical properties,electrochemical performance,and reaction mechanisms of electrode materials for electrochemical proton storage.According to the different charge storage mechanisms,the surface redox,intercalation,and conversion materials are classified and introduced in detail,where the influence of crystal water and other nanostructures on the migration kinetics of protons is clarified.Several reported advanced full cell devices are summarized to promote the commercialization of electrochemical proton storage.Finally,this review provides a framework for research directions of charge storage mechanism,basic principles of material structure design,construction strategies of full cell device,and goals of practical application for electrochemical proton storage.

Detonation Propagation Characteristics of Superposition Explosive Materials

In order to investigate detonation propagation characteristics of different charge patterns,the detonation velocities of superposition strip shaped charges made up of a detonating cord and explosives were measured by a detonation velocity measuring instrument under conditions of different ignition.The experimental results and theoretical analysis show that the maximum detonation propagation velocity depends on the explosive materials with the maximum velocity among all the explosive materials.Using detonating cord in a superposition charge can shorten detonation propagation time and improve the efficiency of explosive energy.The measurement method of detonation propagation velocity and experimental results are presented and investigated.

Revisiting the electrode manufacturing: A look into electrode rheology and active material microenvironment

The microstructures on electrode level are crucial for battery performance, but the ambiguous understanding of both electrode microstructures and their structuring process causes critical challenges in controlling and evaluating the electrode quality during fabrication. In this review, analogous to the cell microenvironment well-known in biology, we introduce the concept of ‘‘active material microenvironment”(ME@AM)that is built by the ion/electron transport structures surrounding the AMs, for better understanding the significance of the electrode microstructures. Further, the scientific significance of electrode processing for electrode quality control is highlighted by its strong links to the structuring and quality control of ME@AM. Meanwhile, the roles of electrode rheology in both electrode structuring and structural characterizations involved in the entire electrode manufacturing process(i.e., slurry preparation, coating/printing/extrusion, drying and calendering) are specifically detailed. The advantages of electrode rheology testing on in-situ characterizations of the electrode qualities/structures are emphasized. This review provides a glimpse of the electrode rheology engaged in electrode manufacturing process and new insights into the understanding and effective regulation of electrode microstructures for future high-performance batteries.

Rational Design of Star-shaped Molecules with Benzene Core and Naphthalimide Derivatives End Groups as Organic Light-emitting Materials

A series of star-shaped molecules with benzene core and naphthalimides derivatives end groups have been designed to explore their optical,electronic,and charge transport properties as charge transport and/or luminescent materials for organic light-emitting diodes（OLEDs）. The frontier molecular orbitals（FMOs） analysis has turned out that the vertical electronic transitions of absorption and emission are characterized as intramolecular charge transfer（ICT）. The calculated results show that the optical and electronic properties of star-shaped molecules are affected by the substituent groups in N-position of 1,8-naphthalimide ring. Our results suggest that star-shaped molecules with n-butyl（1）,benzene（2）,thiophene（3）,thiophene S？,S？-dioxide（4）,benzo[c][1,2,5]thiadiazole（5）,and 2,7a-dihydrobenzo[d]thiazole（6） fragments are expected to be promising candidates for luminescent and electron transport materials for OLEDs. This study should be helpful in further theoretical investigations on such kind of systems and also to the experimental study for charge transport and/or luminescent materials for OLEDs.

Manipulating charge density wave state in kagome compound RbV_(3)Sb_(5)

Owing to the unique electronic structure,kagome materials AV_(3)Sb_(5)(A=K,Rb,Cs)provide a fertile platform of quantum phenomena such as the strongly correlated state and topological Dirac band.It is well known that RbV_(3)Sb_(5)exhibits a 2×2 unconventional charge density wave(CDW)state at low temperature,and the mechanism is controversial.Here,by using scanning tunneling microscopy/spectroscopy(STM/STS),we successfully manipulated the CDW state in the Sb plane of RbV_(3)Sb_(5),and realized a new3(1/2)×3(1/2)modulation together with the ubiquitous 2×2 period in the CDW state of RbV_(3)Sb_(5).This work provides a new understanding of the collective quantum ground states in the kagome materials.