A review on ultra-small undoped MoS_(2) as advanced catalysts for renewable fuel production

Molybdenum disulfide(MoS_(2))has garnered significant attention in the field of catalysis due to the high density of active sites in its unique two-dimensional(2D)structure,which could be developed into numerous high-performance catalysts.The synthesis of ultra-small MoS2 particles(<10 nm)is highly desired in various experimental studies.The ultra-small structure could often lead to a distinct S-Mo coordination state and nonstoichiometric composition in MoSx,minimizing in-plane active sites of the 2D structure and making it probable to regulate the atomic and electronic structure of its intrinsic active sites on a large extent,especially in MoSx clusters.This article summarizes the recent progress of catalysis over ultra-small undoped MoS_(2) particles for renewable fuel production.Through a systematic review of their synthesis,structural,and spectral characteristics,as well as the relationship between their catalytic performance and inherent defects,we aim to provide insights into catalysis over this matrix that may potentially enable advancement in the development of high-performance MoS_(2)-based catalysts for sustainable energy generation in the future.

Engineering d-band states of(CuGa)_(x)Zn_(1-2x)Ga_(2)S_(4)material for photocatalytic syngas production

The d-band states of catalytic materials participate in adsorbing reactive intermediate species and determine the catalytic behaviors in CO_(2)reduction reactions.However,surface d-band states relating to the photocatalytic CO_(2)reduction reactions behaviors are rarely concerned.Herein,a slightly amount of Cd^(2+)is decorated on the surface of(CuGa)_(x)Zn_(1-2x)Ga_(2)S_(4)material(Cd^(2+)/(CuGa)_(x)Zn_(1-2x)Ga_(2)S_(4))to tune the surface d-band states for improved CO_(2)+2reduction reactions.The Cd/(CuGa)_(x)Zn_(1-2x)Ga_(2)S_(4)is fabricated via the facile ions-exchange method to make that slightly Zn2+is substituted by Cd^(2+).The Cd^(2+)/(CuGa)_(x)Zn_(1-2x)Ga_(2)S_(4)exhibits much enhanced photocatalytic activity in CO_(2)reduction reactions to produce CO and water splitting to produce H_(2).Physical characterizations show that the energy band structure is not changed obviously.Density functional theory reveals that Cd^(2+)/(CuGa)_(x)Zn_(1-2x)Ga_(2)S_(4)possesses a closer shift of d-band center to Fermi level than(CuGa)_(x)Zn_(1-2x)Ga_(2)S_(4),suggesting easier adsorption of CO_(2)reduction reactive intermediates after Cd^(2+)decoration.Further calculations confirm that a relatively reduced adsorption Gibbs energy of reactive intermediates in CO_(2)reduction reaction is required on Zn atoms in Cd^(2+)/(CuGa)_(x)Zn_(1-2x)Ga_(2)S_(4)material,benefiting the photocatalytic CO_(2)reduction reactions.This work engineers surface d-band states by surface Cd^(2+)decoration,which gives an effective strategy to design highly efficient photocatalysts for syngas production.

Moiré Synaptic Transistor for Homogeneous-Architecture Reservoir Computing

Reservoir computing has been considered as a promising intelligent computing paradigm for effectively processing complex temporal information.Exploiting tunable and reproducible dynamics in the single electronic device have been desired to implement the “reservoir” and the “readout” layer of reservoir computing system.Two-dimensional moiré materials,with an artificial lattice constant many times larger than the atomic length scale,are one type of most studied artificial quantum materials in community of material science and condensed-matter physics over the past years.These materials are featured with gate-tunable periodic potential and electronic correlation,thus varying the electric field allows the electrons in the moiré potential per unit cell to exhibit distinct and reproducible dynamics,showing great promise in robust reservoir computing.Here,we report that a moiré synaptic transistor can be used to implement the reservoir computing system with a homogeneous reservoir-readout architecture.The synaptic transistor is fabricated based on an h-BN/bilayer graphene/h-BN moiré heterostructure,exhibiting ferroelectricity-like hysteretic gate voltage dependence of resistance.Varying the magnitude of the gate voltage enables the moiré transistor to switch between long-term memory and shortterm memory with nonlinear dynamics.By employing the short-and long-term memories as the reservoir nodes and weights of the readout layer,respectively,we construct a full-moiré physical neural network and demonstrate that the classification accuracy of 90.8% can be achieved for the MNIST(Modified National Institute of Standards and Technology) handwritten digits database.Our work would pave the way towards the development of neuromorphic computing based on moiré materials.

Cobalt phthalocyanine-based conjugated polymer as efficient and exclusive electrocatalyst for CO_(2) reduction to ethanol

Electrocatalytic conversion of carbon dioxide to high value-added chemicals is a promising method for solving the energy crisis and global warming.Electrochemical active metal-containing conjugated polymers have been widely studied for heterogeneous carbon dioxide reduction.In the present contribution,we designed and synthesized a stable cobalt phthalocyanine-based conjugated polymer,named CoPPc-TFPPy-CP,and also explored its electro-catalytic application in carbon dioxide reduction to liquid products in an aqueous solution.In the catalyst,cobalt phthalocyanine acts as building blocks connected with 1,3,6,8-tetrakis(4-formyl phenyl)pyrenes via imine-linkages,leading to mesoporous formation polymers with the pore size centered at 4.1nm.And the central co-balt atoms shifted to a higher oxidation state after condensation.With these chemical and structural natures,the catalyst displayed a remarkable electrocatalytic CO_(2) reduction performance with an ethanol Faradaic efficiency of 43.25%at-1.0V vs RHE.While at the same time,the electrochemical reduction process catalyzed by cobalt phthalocyanine produced only carbon monoxide and hydrogen.To the best of our knowledge,CoPPc-TFPPy-CP is the first example among organic polymers and metal-organic frameworks that produces ethanol from CO_(2) with a remarkable selectivity.

Magneto-thermo-mechanical characterization of giant magnetostrictive materials

The variations of magnetization and magneto- striction with temperature and stress were investigated through the analysis of the effective field, induced by temperature and stress. A nonlinear magnetostrictive model of giant magnetostrictive materials was proposed. The proposed model can be used to calculate the magnetostrictive characterization of giant magnetostrictive materi- als in different temperatures and under different stresses. The coupling effects of axial stress, magnetic field, and temperature on the magnetostriction of a Terfenol-D rod were numerically simulated as well as experimentally tested. Comparison between the calculating and experimental results shows that the proposed model can better describe the magneto-thermo-mechanical characteristics of Terfenol-D rod under different temperatures and compressive stress. Therefore, the proposed model possesses an important significance for the design of magnetostrictive devices.

Microcrystallization and lattice contraction of NiFe LDHs for enhancing water electrocatalytic oxidation

The lattice-oxygen-mediated mechanism is considered as a reasonable mechanism for the electrochemical catalytic oxygen evolution reaction(OER)of NiFe layered double hydroxides(LDHs).A NiFe LDH with distinct lattice contraction and microcrystallization was synthesized via a simple one-step method using sodium gluconate.The lattice contraction is attributed to the interaction of carbon in sodium gluconate and iron in NiFe LDH.The NiFe LDH with optimized microcrystallization and lattice contraction shows a low overpotential of 217 mV at a current density of 10 mA cm^(−2) and excellent durability of 20 h at a high current density of 100 mA cm^(−2).The results revealed that a contractive metal–oxygen bond could boost the intrinsic activity of active sites and the microcrystallization promotes an increase in the number of active sites in terms of unit area.The chemical environment of oxygen elemental characterization and resistance at different chronopotentiometry times confirm that the lattice oxygen element is indeed involved in the process of OER,supporting the lattice-oxygen-mediated mechanism of NiFe LDH.Density functional theory calculations reveal that contractive metal–oxygen bonds induced a reduction of the adsorption energy barrier of intermediate products,thus improving the intrinsic catalytic activity.The special characteristics of microcrystallization and lattice contraction of NiFe LDH provide a strategy to improve both the number and the intrinsic activity of active sites in a versatile manner.

Quantitative Analysis for Monitoring Formulation of Lubricating Oil Using Terahertz Time-Domain Transmission Spectroscopy

The quantitative analysis of zinc isopropyl-isooctyl-dithiophosphate (T204) mixed with lube base oil from Korea with viscosity index 70 (T204-Korea70) is presented by using terahertz time-domain spectroscopy (THz-TDS).Compared with the middle-infrared spectra of zinc n-butyl-isooctyl-dithiophosphate (T202) and T204,THz spectra of T202 and T204 show the weak broad absorption bands.Then,the absorption coefficients of the T204-Korea70 system follow Beer's law at the concentration from 0.124 to 4.024%.The experimental absorption spectra of T204-Korea70 agree with the calculated ones based on the standard absorption coefficients of T204 and Korea70.The quantitative analysis enables a strategy to monitor the formulation of lubricating oil in real time.

Photon-Assisted Conductance Structure for a Quantum Dot

我们理论上调查一个二水平的量点的电子运输在旋转波浪近似在低温度在一块弱激光地下面照耀。用运动为的 Keldysh 方程的方法非平衡格林功能，我们与对掘的当前的方向垂直的光子极化为系统检验传导力。由分析分析和数字例子，传导力山峰切开的一个特征出现，这被表明，并且事件激光频率和自我精力上的传导力的依赖被讨论。

The ternary Ni–Al–Co embedded-atom-method potential for γ/γ Ni-based single-crystal superalloys: Construction and application

An Ni-AI-Co system embedded-atom-method potential is constructed for the γ（Ni）/γ＇（Ni3A1） superalloy based on experiments and first-principles calculations. The stacking fault energies （SFEs） of the Ni（Co, A1） random solid solutions are calculated as a function of the concentrations of Co and A1. The calculated SFEs decrease with increasing concentrations of Co and A1, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni（Co） solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ（Ni） may be improved by the addition of Co.

Anchoring Active Sites by Pt_(2)FeNi Alloy Nanoparticles on NiFe Layered Double Hydroxides for Efficient Electrocatalytic Oxygen Evolution Reaction

Strategy of anchoring alloy nanoparticles made up of the efficient catalytic element(e.g.,Ni,Fe)on dodecyl sulfate(DS^(-))-intercalated NiFe layered double hydroxides(DS^(-)-NiFe LDH)obtained by a convenient one-step hydrothermal coprecipitation method for essentially enhancing oxygen evolution reaction(OER)performance was proposed.The results of structural characterization indicate Pt_(2)FeNi alloy nanoparticles evenly distribute on the surface of DS^(-)-NiFe LDH.The sizes of the Pt_(2)FeNi nanoparticles,closely related to their OER performance,could be wellcontrolled by adjusting the amount of H;PtCl;addition.The composite structure of as-prepared product was stable during processes of synthesis,exfoliation,self-assembly,and subsequent electrocatalytic OER.Rigorous electrochemical test proving the contributing catalytic active sites was located at the interface between Pt_(2)FeNi and DS^(-)-NiFe LDH,and the Ni and Fe were the major active elements while O atoms are adsorption sites.The formation of Pt_(2)FeNi nanoparticles could greatly prompt the reduction of Tafel slope.The best-performing Pt_(2)FeNi/DS^(-)-NiFe LDH with a Pt content of 0.98 wt%achieved low overpotential of 204 mV at 10 mA cm^(-2)and 262 mV at 50 mA cm^(-2).This work provides a convenient and effective strategy to create additional active sites for enhancing OER performance of NiFe LDH and make contribution to its wide application.

Atomic-level insights into surface engineering of semiconductors for photocatalytic CO_(2) reduction

Photocatalytic conversion of CO_(2)into solar fuels provides a bright route for the green and sustainable development of human society.However,the realization of efficient photocatalytic CO_(2)reduction reaction(CO_(2)RR)is still challenging owing to the sluggish kinetics or unfavorable thermodynamics for basic chemical processes of CO_(2)RR,such as adsorption,activation,conversion and product desorption.To overcome these shortcomings,recent works have demonstrated that surface engineering of semiconductors,such as introducing surface vacancy,surface doping,and cocatalyst loading,serves as effective or promising strategies for improved photocatalytic CO_(2)RR with high activity and selectivity.The essential reason lies in the activation and reaction pathways can be optimized and regulated through the reconstruction of surface atomic and electronic structures.Herein,in this review,we focus on recent research advances about rational design of semiconductor surface for photocatalytic CO_(2)RR.The surface engineering strategies for improved CO_(2)adsorption,activation,and product selectivity will be reviewed.In addition,theoretical calculations along with in situ characterization techniques will be in the spotlight to clarify the kinetics and thermodynamics of the reaction process.The aim of this review is to provide deep understanding and rational guidance on the design of semiconductors for photocatalytic CO_(2)RR.

Advanced silicon nanostructures derived from natural silicate minerals for energy storage and conversion

To effectively alleviate the ever-increasing energy crisis and environmental issues,clean and sustainable energy-related materials as well as the corresponding storage/conversion devices are in urgent demand.Silicon(Si) with the second most elemental abundance on the crust in the form of silicate or silica(SiO_(2)) minerals,is an advanced emerging material showing high performance in energy-related fields(e.g.batteries,photocatalytic hydrogen evolution).For the improved performance in industry-scale applications,Si materials with delicate nanostructures and ideal compositions in a massive production are highly cherished.On account of the reserve,low cost and diverse micro-nanostructures,silicate minerals are proposed as promising raw materials.In the article,crystal structures and the reduction approaches for silicate minerals,as well as recent progress on the as-reduced Si products for clean energy storage/conversion,are presented systematically.Moreover,some cutting-edge fields involving Si materials are discussed,which may offer deep insights into the rational design of advanced Si nanostructures for extended energy-related fields.

Schottky photodiode using submicron thick diamond epilayer for flame sensing

The sensing of a flame can be performed by using wide-bandgap semiconductors, which offer a high signal-to-noise ratio since they only response the ultraviolet emission in the flame. Diamond is a robust semiconductor with a wide-bandgap of 5.5 e V, exhibiting an intrinsic solar-blindness for deep-ultraviolet(DUV) detection. In this work, by using a submicron thick boron-doped diamond epilayer grown on a type-Ib diamond substrate, a Schottky photodiode device structure- based flame sensor is demonstrated. The photodiode exhibits extremely low dark current in both forward and reverse modes due to the holes depletion in the epilayer. The photodiode has a photoconductivity gain larger than 100 and a threshold wavelength of 330 nm in the forward bias mode. CO and OH emission bands with wavelengths shorter than 330 nm in a flame light are detected at a forward voltage of-10 V. An alcohol lamp flame in the distance of 250 mm is directly detected without a focusing lens of flame light.

Controllable fabrication and structure evolution of hierarchical 1T-MoS_(2) nanospheres for efficient hydrogen evolution

The layered materials have demonstrated great prospects as cost-effective substitutes for precious electrocatalysts in hydrogen evolution reaction.Research efforts have been devoted to synthesizing highly conductive MoS_(2) with the substantial cardinal plane and edge active sites.Here,we successfully synthesized a hierarchical 1T/2H–MoS_(2) with sodium ion insertion via a facile hydrothermal method.The contents of the 1T-phase can be flexibly controlled by different hydrothermal temperatures(160 ~ 200°C).And the modified uniformly dispersed 1T/2H–MoS_(2) nanospheres with different d spacings were designed to enhance the electrocatalytic efficiency by adding SiO_(2) and through the ion exchange process of Na OH and HF solution.The as-synthesized Na+intercalated 1T-MoS_(2) nanosphere with an expanded interlayer of 0.95 nm obtained at 160°C exhibits a prominent electrocatalytic performance of hydrogen evolution reaction with a comparable overpotential of 255 m V and a remarkably small Tafel slope of 44 m V/decade.Therefore,this study provides a facile and controllable strategy to yield interlayerexpanded 1T-MoS_(2) nanospheres,making it a potentially competitive hydrogen evolution catalyst for the hydrogen cell.

Conductance for a Quantum Wire with Weak Rashba Spin-Orbit Coupling

我们理论上学习没有 SOC，半导体量电线 nonadiabatically 连接了到二电极领先的联合的一条弱 Rashba 纺纱轨道(SOC ) 的低温度电子运输性质。电线和领先被电子运输上的电线铅连接和 Rashba SOC 的一个抛物线的限制潜力，和影响定义是借助于散布在内的矩阵的对待的经分解有效免费电子的近似。从分析分析和数字例子，我们结束系统显示出某部分量传导力行为，并且为某特别电线宽度，纯旋转极化了电流存在。没有包含任何磁性的材料或磁场，我们的结果可以为旋转 Elter 的设计暗示一个简单方法。

Optoelectronic Properties for Armchair-Edge Graphene Nanoribbons

We study theoretically the electronic and transport property for an armchair-edge graphene nanoribbon （GNR.） with 12 and 11 transversal atomic lines, respectively. The ONR. is irradiated under an external longitudinal polarized high-frequency electromagnetic field at low temperatures. Within the framework of linear response theory in the perturbative regime, we examine the joint density of states and the real conductance of the system. It is demonstrated that, by numerical examples, some new photon-assisted intersubband transitions over a certain range of field frequency exist with different selection rules from those of both zigzag-edge GNR. and single-walled carbon nanotube. This opto-electron property dependence of armchair-edge GNR. on field frequency may be used to detect the high-frequency electromagnetic irradiation.

Photon-assisted electronic structure and transport for a quantum dot

This paper investigates theoretically the electronic structure and transport of a two-level quantum dot irradiated under a strong laser field at low temperatures. Using the method of Keldysh equation of motion for nonequilibrium Green functions, it examines the time-averaged density of states and conductance for the system with photon polarization parallel with and perpendicular to the tunnelling current direction respectively. It is demonstrated that, by analysing some numerical examples, more photon sidebands resonance states and multi-and single-photon transitions are found when diagonal matrix elements dominate the interaction, while the electronic transitions due to multiphoton absorption are more or less suppressed when off-diagonal interaction dominates.

Spectral Structure and Gap-Labeling Properties for a New Class of One-Dimensional Quasilattices

A new class of 1D quasiperiodic lattices,for which the substitution rules are B→BA,and A→BAB,has been studied in several aspects.The high-dimensional projection method for obtaining the quasilattice is presented.A multifractral spectral behavior and gap fabeling properties have been found,which display the perfect quasiperiodicity of the studied model.

Revealing the illumination effect on the discharge products in high-performance Li-O_(2) batteries with heterostructured photocatalysts

Aprotic lithium–oxygen batteries(LOBs)have been recognized as novel energy storage devices for their outstanding specific energy density,while the large discharge/charge overpotential is a tough barrier to be overcome.Here,hetero-structured MoS_(2)/ZnIn_(2)S_(4) nanosheets have been prepared to capture visible light and the generated charge carriers are utilized for promoting both the oxygen reduction reaction and the oxygen evolution reaction.With the light illumination in the discharge process,the abundant photo-inspired electrons serve as the reaction sites to promote the reduction of O_(2) into LiO_(2) which is finally deposited as Li_(2)O_(2).On the contrary,the generated holes in the valence band can contribute to the low oxidization potential of Li_(2)O_(2) during the charge process.It delivers a low charge potential of 3.29 V,with an excellent resulting energy efficiency of 96.7%,much superior to that of 69.2%in the dark condition.It is noted that the involvement of photoelectrons has influenced the growth of Li_(2)O_(2) films on the MoS_(2)/ZnIn_(2)S_(4) nanosheets through the surface-adsorption pathway.The insights from the theoretical calculation confirm that the photoelectrons favor the absorption of LiO_(2) and the formation of the Li_(2)O_(2) film through the surface route.Therefore,this paper provides a deeper understanding of the mechanism of photoinspired charge carriers in LOBs and will enable further exploration of photo-involved energy storage systems.

Modified Carlsson-Gelatt-Ehrenreich Scheme for the Inverse Problem of Cohesive Energy

By using the Hardy-Wright-Mobius inverse formula,we have improved the Carlsson-Gelatt-Ehrenreich scheme for the inverse problem of cohesive energy.The advantage of the new method is that the inverse formula are in a sense independent of the geometries of lattices.