Effects of vacancy and external electric field on the electronic properties of the MoSi_(2)N_(4)/graphene heterostructure

Recently,the newly synthesized septuple-atomic layer two-dimensional(2D)material MoSi_(2)N_(4)(MSN)has attracted attention worldwide.Our work delves into the effect of vacancies and external electric fields on the electronic properties of the MSN/graphene(Gr)heterostructure using first-principles calculation.We find that four types of defective structures,N-in,N-out,Si and Mo vacancy defects of monolayer MSN and MSN/Gr heterostructure are stable in air.Moreover,vacancy defects can effectively modulate the charge transfer at the interface of the MSN/Gr heterostructure as well as the work function of the pristine monolayer MSN and MSN/Gr heterostructure.Finally,the application of an external electric field enables the dynamic switching between n-type and p-type Schottky contacts.Our work may offer the possibility of exceeding the capabilities of conventional Schottky diodes based on MSN/Gr heterostructures.

Kinetic-boosted CO_(2) electroreduction to formate via synergistic electric-thermal field on hierarchical bismuth with amorphous layer

Electrocatalytic converting CO_(2) into chemical products has emerged as a promising approach to achieving carbon neutrality.Herein,we report a bismuth-based catalyst with high curvature terminal and amorphous layer which fabricated via two-step electrodeposition achieves stable formate output in a wide voltage window of 600 mV.The Faraday efficiency(FE) of formate reached up to 99.4% at-0.8 V vs.RHE and it remained constant for more than 92 h at-15 mA cm^(-2).More intriguingly,FE formate of95.4% can be realized at a current density of industrial grade(-667.7 mA cm^(-2)) in flow cell.The special structure promoted CO_(2) adsorption and reduced its activation energy and enhanced the electric-thermal field and K^(+) enrichment which accelerated the reaction kinetics.In situ spectroscopy and theoretical calculation further confirmed that the introduction of amorphous structure is beneficial to adsorpting CO_(2)and stabling*OCHO intermediate.This work provides special insights to fabricate efficient electrocatalysts by means of structural and crystal engineering and makes efforts to realize the industrialization of bismuth-based catalysts.

VSe_(2)/V_(2)C heterocatalyst with built-in electric field for efficient lithium-sulfur batteries:Remedies polysulfide shuttle and conversion kinetics

Lithium sulfur(Li-S)battery is a kind of burgeoning energy storage system with high energy density.However,the electrolyte-soluble intermediate lithium polysulfides(Li PSs)undergo notorious shuttle effect,which seriously hinders the commercialization of Li-S batteries.Herein,a unique VSe_(2)/V_(2)C heterostructure with local built-in electric field was rationally engineered from V_(2)C parent via a facile thermal selenization process.It exquisitely synergizes the strong affinity of V_(2)C with the effective electrocatalytic activity of VSe_(2).More importantly,the local built-in electric field at the heterointerface can sufficiently promote the electron/ion transport ability and eventually boost the conversion kinetics of sulfur species.The Li-S battery equipped with VSe_(2)/V_(2)C-CNTs-PP separator achieved an outstanding initial specific capacity of 1439.1 m A h g^(-1)with a high capacity retention of 73%after 100 cycles at0.1 C.More impressively,a wonderful capacity of 571.6 mA h g^(-1)was effectively maintained after 600cycles at 2 C with a capacity decay rate of 0.07%.Even under a sulfur loading of 4.8 mg cm^(-2),areal capacity still can be up to 5.6 m A h cm^(-2).In-situ Raman tests explicitly illustrate the effectiveness of VSe_(2)/V_(2)C-CNTs modifier in restricting Li PSs shuttle.Combined with density functional theory calculations,the underlying mechanism of VSe_(2)/V_(2)C heterostructure for remedying Li PSs shuttling and conversion kinetics was deciphered.The strategy of constructing VSe_(2)/V_(2)C heterocatalyst in this work proposes a universal protocol to design metal selenide-based separator modifier for Li-S battery.Besides,it opens an efficient avenue for the separator engineering of Li-S batteries.

Internal electric field modulation by copper vacancy concentration of cuprous sulfide nanosheets for enhanced selective CO_(2) photoreduction

Although the internal electric field(IEF)of photocatalysts is acknowledged as a potent driving force for photocharge separation,modulating the IEF intensity to achieve enhanced photocatalytic performances remains a challenge.Herein,cuprous sulfide nanosheets with different Cu vacancy concentration were employed to study IEF modulation and corresponding direct charge transfer.Among the samples,Cu_(1.8)S nanosheets possessed intensified IEF intensity compared with those of Cu_(2)S and Cu_(1.95)S nanosheets,suggesting that an enhanced IEF intensity could be achieved by introducing more Cu vacancies.This intensified IEF of Cu_(1.8)S nanosheets induced numerous photogenerated electrons to migrate to its surface,and the dissociative electrons were then captured by Cu vacancies,resulting in efficient charge separation spatially.In addition,the Cu vacancies on Cu_(1.8)S nanosheets accumulated electrons as active sites to lower the energy barrier of rate-determining step of CO_(2)photoreduction,leading to the selective conversion of CO_(2)to CO.Herein,the manipulation of IEF intensity through Cu vacancy concentration regulation of cuprous sulfide photocatalysts for efficient charge separation has been discussed,providing a scientific strategy to rationally improve photocata lytic performances for solar energy conversion.

Values of macular ganglion cell-inner plexiform layer and 10-2 visual field measurements in detecting and evaluating glaucoma

AIM:To assess the performance of macular ganglion cell-inner plexiform layer thickness(mGCIPLT)and 10-2 visual field(VF)parameters in detecting early glaucoma and evaluating the severity of advanced glaucoma.METHODS:Totally 127 eyes from 89 participants(36 eyes of 19 healthy participants,45 eyes of 31 early glaucoma patients and 46 eyes of 39 advanced glaucoma patients)were included.The relationships between the optical coherence tomography(OCT)-derived parameters and VF sensitivity were determined.Patients with early glaucoma were divided into eyes with or without central 10°of the VF damages(CVFDs),and the diagnostic performances of OCT-derived parameters were assessed.RESULTS:In early glaucoma,the mGCIPLT was significantly correlated with 10-2 VF pattern standard deviation(PSD;with average mGCIPLT:β=-0.046,95%CI,-0.067 to-0.024,P<0.001).In advanced glaucoma,the mGCIPLT was related to the 24-2 VF mean deviation(MD;with average mGCIPLT:β=0.397,95%CI,0.199 to 0.595,P<0.001),10-2 VF MD(with average mGCIPLT:β=0.762,95%CI,0.485 to 1.038,P<0.001)and 24-2 VF PSD(with average mGCIPLT:β=0.244,95%CI,0.124 to 0.364,P<0.001).Except for the minimum and superotemporal mGCIPLT,the decrease of mGCIPLT in early glaucomatous eyes with CVFDs was more severe than that of early glaucomatous eyes without CVFDs.The area under the curve(AUC)of the average mGCIPLT(AUC=0.949,95%CI,0.868 to 0.982)was greater than that of the average circumpapillary retinal nerve fiber layer thickness(cpRNFLT;AUC=0.827,95%CI,0.674 to 0.918)and rim area(AUC=0.799,95%CI,0.610 to 0.907)in early glaucomatous eyes with CVFDs versus normal eyes.CONCLUSION:The 10-2 VF and mGCIPLT parameters are complementary to 24-2 VF,cpRNFLT and ONH parameters,especially in detecting early glaucoma with CVFDs and evaluating the severity of advanced glaucoma in group level.

Interfacial built-in electric field and crosslinking pathways enabling WS_(2)/Ti_(3)C_(2)T_(x) heterojunction with robust sodium storage at low temperature

Developing efficient energy storage for sodium-ion batteries(SIBs)by creating high-performance heterojunctions and understanding their interfacial interaction at the atomic/molecular level holds promise but is also challenging.Besides,sluggish reaction kinetics at low temperatures restrict the operation of SIBs in cold climates.Herein,cross-linking nanoarchitectonics of WS_(2)/Ti_(3)C_(2)T_(x) heterojunction,featuring built-in electric field(BIEF),have been developed,employing as a model to reveal the positive effect of heterojunction design and BIEF for modifying the reaction kinetics and electrochemical activity.Particularly,the theoretical analysis manifests the discrepancy in work functions leads to the electronic flow from the electron-rich Ti_(3)C_(2)T_(x) to layered WS_(2),spontaneously forming the BIEF and“ion reservoir”at the heterogeneous interface.Besides,the generation of cross-linking pathways further promotes the transportation of electrons/ions,which guarantees rapid diffusion kinetics and excellent structure coupling.Consequently,superior sodium storage performance is obtained for the WS_(2)/Ti_(3)C_(2)T_(x) heterojunction,with only 0.2%decay per cycle at 5.0 A g^(-1)(25℃)up to 1000 cycles and a high capacity of 293.5 mA h g^(-1)(0.1A g^(-1)after 100 cycles)even at-20℃.Importantly,the spontaneously formed BIEF,accompanied by“ion reservoir”,in heterojunction provides deep understandings of the correlation between structure fabricated and performance obtained.

Structural Setting of the South-West Cameroon Using Satellite Potential Field Derived from SGG-UGM-2 Gravity Data

This study aims to improve knowledge of the structure of southwest Cameroon based on the analysis and interpretation of gravity data derived from the SGG-UGM-2 model. A residual anomaly map was first calculated from the Bouguer anomaly map, which is strongly affected by a regional gradient. The residual anomaly map generated provides information on the variation in subsurface density, but does not provide sufficient information, hence the interest in using filtering with the aim of highlighting the structures affecting the area of south-west Cameroon. Three interpretation methods were used: vertical gradient, horizontal gradient coupled with upward continuation and Euler deconvolution. The application of these treatments enabled us to map a large number of gravimetric lineaments materializing density discontinuities. These lineaments are organized along main preferential directions: NW-SE, NNE-SSW, ENE-WSW and secondary directions: NNW-SSE, NE-SW, NS and E-W. Euler solutions indicate depths of up to 7337 m. Thanks to the results of this research, significant information has been acquired, contributing to a deeper understanding of the structural composition of the study area. The resulting structural map vividly illustrates the major tectonic events that shaped the geological framework of the study area. It also serves as a guide for prospecting subsurface resources (water and hydrocarbons). .

Breakdown Electric Field of Hot 30% CF_3I/CO_2 Mixtures at Temperature of 300–3500 K During Arc Extinction Process

We calculated the uniform dielectric breakdown field strength of residual 30% CF3I/CO2 gas mixtures during the arc extinction process over the temperature range 300-3500 K at 0.1 MPa. The limiting reduced field strengths are decided by a balance of electron generation and loss based on chemical reactions estimated by the electron energy distribution function （EEDF）, which employs the Boltzmann equation method with two-term expanding approximation in the steady-state Townsend （SST） condition. During the insulation recovery phase, the hot CF3I/CO2 gas mixtures have maximum dielectric strength at a temperature of about 1500 K. At room temperature 300 K, the electric strength after arc extinction （90.3 Td, 1 Td=10-21 V.m2） is only 38% of the original value before arc （234.9 Td）. The adverse insulation recovery ability of CF3I/CO2 gas mixtures in arc extinction hinders its application in electric circuit breakers and other switchgears as an arc quenching and insulating medium.

The Influence of Longitudinal Magnetic Field on the CO_2 Arc Shape

The COarc welding was carried out under a longitudinal magnetic field,and the arc shape has been studied by using a high-speed camera.From the camera images,we know that under the action of the longitudinal magnetic field,the upper end of the arc will constrict and the lower end of the arc will expand.It would become a bell-type shape and rotate at a highspeed in the optimum range of magnetic field parameters.The arc shape was simulated using a mathematical model,which was established based on experiment data and theoretical knowledge,and mechanism analysis has been carried out regarding the effect of longitudinal magnetic field on COwelding arcs.

Comparison of the Results in CO_2 Sequestration Field Experience and Laboratory Studies

Sequestration of carbon dioxide（CO2） in deep, unminable coalseam is an innovative technology, because it can not only reduce greenhouse gas in the atmosphere,but also enhance coalbed methane recovery（CO2-ECBM）.Lots of research have been carried out on this topic in recent years.However,few of them were focused on the comparison of the

大功率TEA CO_2激光远场发散角评估方法

在大功率激光远距离定向传输中,远场发散角是衡量其性能的一个重要参量。大功率TEA CO2激光具有功率高、光束直径大等特点,常规手段无法准确测量其远场发散角。为解决该难题,提出了一种利用激光光斑尺寸拟合分析法来评估大功率TEA CO2激光的远场发散角。首先,从理论上推导大Fresnel数多模高斯激光束远场发散角,分析了影响激光束发散角的主要因素;然后,采用光斑烧蚀法试验测量近场(≤20 m)光斑数据,基于光束质量(M2)因子理论拟合得出了激光光束质量和束腰大小,从而推导出激光束远场发散角;最后,对比分析了以上两种方法的计算结果,讨论了结果存在偏差的原因。结果表明,近场光斑数据拟合法可准确、便捷地测量大功率TEA CO2激光束远场发散角。

CO_2激光作用下运动石英玻璃的温度分布

研究了运动石英玻璃板在CO2激光作用下的热效应,在考虑表面辐射和空气对流的情况下建立了数学模型,采用有限元软件ANSYS进行数值计算,得到了运动情况下石英玻璃的温度分布。比较了激光功率、光斑半径和运动速度对温度分布的影响,得到了温度分布与运动速度和激光参数之间的关系。结果显示石英玻璃板的表面温度随激光功率的增加而增加,随光斑半径、运动速度的增加而减小。

大功率TEA CO_2激光器的电磁辐射测试及屏蔽方舱设计

为了抑制大功率TEA CO2激光器对其他电子设备的电磁干扰,在测量并分析激光器的近场电磁辐射特性的基础上,设计了电磁屏蔽方舱并进行了实验验证。根据大功率TEA CO2激光器的工作原理,分析了激光器工作过程中的主要电磁辐射源;结合电磁辐射理论与激光器的实际结构,确定了电磁辐射测试的主要部位为火花开关、主回路、激光器出光口处。分析测试结果,得到了激光器近场不同方位的主要辐射频率及辐射场特性,据此设计了屏蔽方舱,并在屏蔽方舱门处进行了屏蔽效能验证。结果表明,大功率TEA CO2激光器在近场区的电磁辐射源为磁场源,据此设计的屏蔽方舱其屏蔽效能整体达到40dB以上,部分频率的屏蔽效能达到60dB以上。

TEA CO_2非稳腔激光器远场光束质量的评价

研究了对虚共焦非稳腔结构的脉冲TEA CO2激光器远场光束质量进行评价的方法。首先将稳腔TEA CO2激光器加工改造成非稳腔结构;然后从实际设计加工的数据出发,用3种常用形式对其远场光束质量进行理论评价与分析,并与设计的2 kW非稳腔激光器的实测远场光强分布实验结果进行了对比。理论和实验结果表明,非稳腔能够获得接近衍射极限的高质量单模光束,β因子是稳腔的4倍多;在同等功率水平下,采用非稳腔的激光器的远场功率密度是稳腔的19倍;非稳腔较小的遮拦比能获得远场较高桶中功率。实验表明,要全面地预测和评价所设计非稳腔激光器的光束质量,需要根据实际,综合地运用3种形式的理论评价体系。

TEA CO_2激光器非对称电极系统的电场分布

设计了一种非对称电极,这种非对称电极的阳极是Chang电极或Ernst电极,阴极是由直线和圆弧构成的简单电极。通过比较和分析非对称电极和对称电极的特点发现,非对称电极系统中简单电极的边缘电场起伏最大。采用有限元方法计算了非对称电极系统中的简单电极取不同的直线长度和弧线半径时,非对称电极系统的电场分布,给出了选择非对称电极系统中的简单电极参数的依据。结果表明:这种非对称电极系统结合了解析电极和简单电极的优点,通过选择非对称电极系统的简单电极参数,它可以在TEA CO2激光器中产生边缘电场起伏小于0.06,且满足电极表面均匀场面积宽度要求的电场。

油气田中CO_2腐蚀的预测模型

综述了油气田中CO2 腐蚀速率的预测模型.关于CO2 腐蚀速率的预测模型主要包括经验模型(Empiricalmodels) ,半经验模型(Semi-empiricalmodels)和机理模型(Mechanisticmodels)三类.经验模型是根据实验室和油气田现场腐蚀数据建立的预测模型,这类模型比较简洁,与现场的试验数据吻合较好.半经验模型先根据腐蚀过程中的化学、电化学过程和介质的传输过程建立腐蚀速率相关的动力学模型,然后利用实验室数据以及现场数据确定各因素的影响因子.机理模型主要是应用腐蚀热力学、动力学以及物质扩散动力学,基于CO2 腐蚀机理建立腐蚀速率的预测模型.由于CO2 腐蚀的影响因素很多,腐蚀机理异常复杂,要建立准确、普适的预测模型较为困难.目前这三类预测模型均存在一定的不完善性。

Preparation and wear properties of TiB_2/Al-30Si composites via in-situ melt reactions under high-energy ultrasonic field

TiB2/Al-30Si composites were fabricated via in-situ melt reaction under high-energy ultrasonic field. The microstructure and wear properties of the composite were investigated by XRD, SEM and dry sliding testing. The results indicate that TiB2 reinforcement particles are uniformly distributed in the aluminum matrix under high-energy ultrasonic field. The morphology of the TiB2 particles is in circle-shape or quadrangle-shape, and the size of the particles is 0.1-1.5μm. The primary silicon particles are in quadrangle-shape and the average size of them is about 10μm. Hardness values of the Al-30Si matrix alloy and the TiB2/Al-30Si composites considerably increase as the high energy ultrasonic power increases. In particular, the maximum hardness value of the in-situ composites is about 1.3 times as high as that of the matrix alloy when the ultrasonic power is 1.2 kW, reaching 412 MPa. Meanwhile, the wear resistance of the in-situ TiB2/Al-30Si composites prepared under high-energy ultrasonic field is obviously improved and is insensitive to the applied loads of the dry sliding testing.

高功率脉冲TEA CO_2激光器主机结构设计与流场优化

为了使高功率TEA CO2激光器主机实现小型化、轻量化,设计了一种环形流道式主机结构,将气体循环冷却系统直接作为激光器工作腔使用。与传统的圆筒式主机结构相比,占空体积减少了30%,质量减少了40%,结构对称趋向模块化,装配维修方便,提高了工程实用价值。为准确分析设计主机流场结构,运用计算流体动力学(CFD)软件Fluent进行了模拟分析,并进行了优化改进。经实验,重复频率由400 Hz提高到470 Hz,平均功率提高了16%。

水稻不同生长期稻田能量收支、CO_2通量模拟研究

利用国家自然科学基金重大项目“长江三角洲低层大气物理化学过程与生态系统的相互作用”野外观测资料 ,将 1 999年常熟稻田水稻四个不同生长期 (插秧、拔节、抽穗和成熟 )的太阳辐射、水汽压、气温和水平风速及降水作为简化生物圈 (SiB2 )模式的 5个强迫变量 ,在合理设计模式参数的前提下 ,分别模拟了上述四个阶段的能量收支、CO2 通量。模拟结果表明 :在水稻不同生长阶段的感热、潜热和下垫面热通量占净辐射的比例不同 ;CO2 通量的模拟结果与 1 996年国际稻田试验结果相似。该研究为利用自动气象站网的资料估计各站能量收支、CO2 通量、土壤水分平衡。

CO_2泡沫压裂液的研究与应用

泡沫压裂液适用于低压、水敏性储集层。通过室内试验及研究 ,优选出CO2 泡沫压裂液配方 ,得出对其性能测试的结果 :起泡、稳泡能力强 ,流变性能、携砂能力好 ,低滤失 ,破胶快等 ,岩心实验证实具有低膨胀及低伤害特性 ,可以满足压裂工艺设计的要求。CO2 泡沫压裂施工中 ,如要提高施工规模、增大砂量及砂液比 ,使用酸性交联压裂液体系可确保施工的顺利进行。在长庆油田等现场实施的CO2 泡沫压裂液增产效果良好。图 2表 5参 3 (丁云宏摘 )