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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
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作者 Jiabao Li Shaocong Tang +6 位作者 Jingjing Hao Quan Yuan Tianyi Wang Likun Pan Jinliang Li Shenbo Yang Chengyin Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期635-645,I0014,共12页
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 ch... 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. 展开更多
关键词 WS_(2)/Ti_(3)C_(2)T_(x)heterojunction Built-in electric field Ion reservoir Reaction kinetics Sodium storage performance at low temperature
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Mathematical Wave Functions and 3D Finite Element Modelling of the Electron and Positron
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作者 Declan Traill 《Journal of Applied Mathematics and Physics》 2024年第4期1134-1162,共29页
The wave/particle duality of particles in Physics is well known. Particles have properties that uniquely characterize them from one another, such as mass, charge and spin. Charged particles have associated Electric an... The wave/particle duality of particles in Physics is well known. Particles have properties that uniquely characterize them from one another, such as mass, charge and spin. Charged particles have associated Electric and Magnetic fields. Also, every moving particle has a De Broglie wavelength determined by its mass and velocity. This paper shows that all of these properties of a particle can be derived from a single wave function equation for that particle. Wave functions for the Electron and the Positron are presented and principles are provided that can be used to calculate the wave functions of all the fundamental particles in Physics. Fundamental particles such as electrons and positrons are considered to be point particles in the Standard Model of Physics and are not considered to have a structure. This paper demonstrates that they do indeed have structure and that this structure extends into the space around the particle’s center (in fact, they have infinite extent), but with rapidly diminishing energy density with the distance from that center. The particles are formed from Electromagnetic standing waves, which are stable solutions to the Schrödinger and Classical wave equations. This stable structure therefore accounts for both the wave and particle nature of these particles. In fact, all of their properties such as mass, spin and electric charge, can be accounted for from this structure. These particle properties appear to originate from a single point at the center of the wave function structure, in the same sort of way that the Shell theorem of gravity causes the gravity of a body to appear to all originate from a central point. This paper represents the first two fully characterized fundamental particles, with a complete description of their structure and properties, built up from the underlying Electromagnetic waves that comprise these and all fundamental particles. 展开更多
关键词 electrON POSITRON Wave Function Solution electromagnetic Spin Mass Charge Proof Fundamental Particle Properties Quantum Mechanics Classical Physics Computer 3D Model Schrödinger Equation RMS KLEIN GORDON electric Magnetic Lorentz Invariant Hertzian Vector Point Potential field Density Phase Flow Attraction REPULSION Shell Theorem Ehrenfest VIRIAL Normalization Harmonic Oscillator
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Electric-Field-Treated Ni/Co_(3)O_(4) Film as High-Performance Bifunctional Electrocatalysts for Efficient Overall Water Splitting 被引量:11
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作者 Junming Li Jun Li +4 位作者 Jun Ren Hong Hong Dongxue Liu Lizhe Liu Dunhui Wang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2022年第9期160-173,共14页
Rational design of bifunctional electrocatalysts for oxygen evolution reaction(OER)and hydrogen evolution reaction(HER)with excellent activity and stability is of great significance,since overall water splitting is a ... Rational design of bifunctional electrocatalysts for oxygen evolution reaction(OER)and hydrogen evolution reaction(HER)with excellent activity and stability is of great significance,since overall water splitting is a promising technology for sustainable conversion of clean energy.However,most electrocatalysts do not simultaneously possess optimal HER/OER activities and their electrical conductivities are intrinsically low,which limit the development of overall water splitting.In this paper,a strategy of electric field treatment is proposed and applied to Ni/Co_(3)O_(4) film to develop a novel bifunctional electrocatalyst.After treated by electric field,the conductive channels consisting of oxygen vacancies are formed in the Co_(3)O_(4) film,which remarkably reduces the resistance of the system by almost 2×10^(4) times.Meanwhile,the surface Ni metal electrode is partially oxidized to nickel oxide,which enhances the catalytic activity.The electric-field-treated Ni/Co_(3)O_(4) material exhibits super outstanding performance of HER,OER,and overall water splitting,and the catalytic activity is significantly superior to the state-of-the-art noble metal catalysts(Pt/C,RuO_(2),and RuO_(2)‖Pt/C couple).This work provides an effective and feasible method for the development of novel and efficient bifunctional electrocatalyst,which is also promising for wide use in the field of catalysis. 展开更多
关键词 Bifunctional electrocatalyst Overall water splitting Co_(3)O_(4)film Oxygen vacancies electric field
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Three-dimensional forward modeling and response characteristics analysis of foundation pit leakage electric-field considering electrokinetic effect 被引量:3
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作者 Chen Yu-Feng Chen Hui +3 位作者 Deng Ju-Zhi Liu Sui-Ming Tang Wen-Wu Wang Shuo 《Applied Geophysics》 SCIE CSCD 2022年第1期117-131,146,共16页
The traditional ground direct current method is not suitable for leakage detection of underground diaphragm walls in foundation pits because of its low accuracy and poor anti-noise ability.Here,we propose a joint surf... The traditional ground direct current method is not suitable for leakage detection of underground diaphragm walls in foundation pits because of its low accuracy and poor anti-noise ability.Here,we propose a joint surface-borehole observation device for leakage electric fi eld detection to achieve rapid measurement of the electric fi eld distribution characteristics at ground level in the foundation pit,thus enabling rapid localization of leakage points.We first establish the mechanism and basic equation of the leakage electric field response by combining the electric field formed by electrokinetic effect(EK)and the stable electric fi eld formed by conduction current in a combined leakage channel.Then,the fi nite–infi nite element coupling method is used to solve the electric fi eld equation to simulate the responses of a three-dimensional foundation pit leakage model.Furthermore,we conduct numerical simulations of diff erent pit models to investigate the infl uencing factors of the detection device and response characteristics of the change in the properties of the leakage channel.The results demonstrate that the proposed joint surface-borehole observation device can effi ciently reveal anomalous potential caused by leakage,and the amplitude of the electric fi eld generated by EK can eff ectively strengthen the leakage electric fi eld signal at the leakage,thus improving detection accuracy and effi ciency. 展开更多
关键词 Foundation pit leakage 3D forward modeling electrokinetic effect Leakage electric field
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Breakdown Electric Field of Hot 30% CF_3I/CO_2 Mixtures at Temperature of 300–3500 K During Arc Extinction Process 被引量:1
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作者 ZHAO Xiaoling JIAO Juntao XIAO Dengming 《Plasma Science and Technology》 SCIE EI CAS CSCD 2016年第11期1095-1100,共6页
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 streng... 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. 展开更多
关键词 limiting electric field strength electron swarm parameters Boltzmannequation hot CF3I/CO2 gas mixtures
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Ab initio study offree radical underthe Si (CH3) 2O doubleexternal electric field
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作者 CHENXiao-jun LUOSun-zhong +4 位作者 JIANGShu-bing HUANGWei GAOXiao-ling MAMei-zhong ZHUZheng-he 《原子与分子物理学报》 CAS CSCD 北大核心 2004年第2期203-209,共7页
Infrared spectrum and NMR chemical shifts of Si (CH3)2O double free radical were calculatedemploying density functional theory(DFT) with the basis sets 6 - 311 + G(2d, p). Excited states, dipole momentand energy of Si... Infrared spectrum and NMR chemical shifts of Si (CH3)2O double free radical were calculatedemploying density functional theory(DFT) with the basis sets 6 - 311 + G(2d, p). Excited states, dipole momentand energy of Si(CH3 )2O double free radical were also calculated using time dependent density function theory(TD-DFT) with the same basis sets. It is found that the external electric field along the X,Y and Z axis affectdifferently on the excited states and other properties of Si(CH3)2O double free radical. 展开更多
关键词 TDDFT Si(CH3)2O EXCITED STATES DIPOLE MOMENT External electric field
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Effect of Screw-Dislocation on Electrical Properties of Spiral-Type Bi2Se3 Nanoplates
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作者 Yu-kun Wu A-wei Zhuang +3 位作者 Chun-miao Ye Jie Zeng Nan Pan Xiao-ping Wang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2016年第6期687-692,I0001,共7页
We systematically investigated the electrical nanoplates through field effect transistor and properties of spiral-type and smooth Bi2Se3 conductive atomic force microscopy (CAFM) measurement. It is observed that bot... We systematically investigated the electrical nanoplates through field effect transistor and properties of spiral-type and smooth Bi2Se3 conductive atomic force microscopy (CAFM) measurement. It is observed that both nanoplates possess high conductivity and show metallic-like behavior. Compared to the smooth nanoplate, the spiral-type one exhibits the higher carrier concentration and lower mobility. CAFM characterization reveals that the conductance at the screw-dislocation edge is even higher than that on the terrace, implying that the dislocation can supply excess carriers to compensate the low mobility and achieve high conductivity. The unique structure and electrical properties make the spiral-type Bi2 Se3 nanoplates a good candidate for catalysts and gas sensors. 展开更多
关键词 Bi2Se3 nanoplates Screw-dislocation electrical properties field effect tran-sistor Conductive atomic force microscopy
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Improvement in refractive-index change in LiNbO3:Ce:Cu by applying an external electric field
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作者 戴翠霞 刘立人 +3 位作者 刘德安 周煜 柴志方 栾竹 《Chinese Physics B》 SCIE EI CAS CSCD 2005年第12期2491-2495,共5页
By jointly solving two-centre material equations with a nonzero external electric field and coupled-wave equations, we have numerically studied the dependence of the non-volatile holographic recording in LiNbO3:Ce:C... By jointly solving two-centre material equations with a nonzero external electric field and coupled-wave equations, we have numerically studied the dependence of the non-volatile holographic recording in LiNbO3:Ce:Cu crystals on the external electric field. The dominative photovoltaic effect of the non-volatile holographic recording in doubly doped LiNbO3 crystals is directly verified. And an external electric field that is applied in the positive direction along the c-axis (or a large one in the negative direction of the c-axis) in the recording phase and another one that is applied in the negative direction of the c-axis in the fixing phase are both proved to benefit strong photorefractive performances. Experimental verifications are given with a small electric field applied externally. 展开更多
关键词 non-volatile holographic recording external electric field refractive-index change LiNbO3:Ce:Cu crystals
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Heterogeneous FASnI3 Absorber with Enhanced Electric Field for High-Performance Lead-Free Perovskite Solar Cells
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作者 Tianhao Wu Xiao Liu +6 位作者 Xinhui Luo Hiroshi Segawa Guoqing Tong Yiqiang Zhang Luis KOno Yabing Qi Liyuan Han 《Nano-Micro Letters》 SCIE EI CAS CSCD 2022年第6期234-247,共14页
Lead-free tin perovskite solar cells(PSCs)have undergone rapid development in recent years and are regarded as a promising ecofriendly photovoltaic technology.However,a strategy to suppress charge recombination via a ... Lead-free tin perovskite solar cells(PSCs)have undergone rapid development in recent years and are regarded as a promising ecofriendly photovoltaic technology.However,a strategy to suppress charge recombination via a built-in electric field inside a tin perovskite crystal is still lacking.In the present study,a formamidinium tin iodide(FASnI;)perovskite absorber with a vertical Sn;gradient was fabricated using a Lewis base-assisted recrystallization method to enhance the built-in electric field and minimize the bulk recombination loss inside the tin perovskites.Depth-dependent X-ray photoelectron spectroscopy revealed that the Fermi level upshifts with an increase in Sn;content from the bottom to the top in this heterogeneous FASnI;film,which generates an additional electric field to prevent the trapping of photo-induced electrons and holes.Consequently,the Sn;-gradient FASnI;absorber exhibits a promising efficiency of 13.82%for inverted tin PSCs with an open-circuit voltage increase of 130 mV,and the optimized cell maintains over 13%efficiency after continuous operation under 1-sun illumination for 1,000 h. 展开更多
关键词 Gradient FASnI3 absorber Built-in electric field Bulk charge recombination Lead-free perovskite solar cell
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Application of 3-D Parallel Electrical Technology Detecting the Water-Rich Areas
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作者 Xuan Wang Liquan Guo 《Open Journal of Geology》 2014年第10期518-523,共6页
Coal working face is damaged more and more seriously by water below the coal face floor. Therefore, floor water detection is a must in the process of extraction. This article aims to introducing application and princi... Coal working face is damaged more and more seriously by water below the coal face floor. Therefore, floor water detection is a must in the process of extraction. This article aims to introducing application and principle of the two-gateways parallel 3-D electrical technology and the arrangement of the observation system. The authors use this method to detect the water under the floor of a mine in north of Anhui. The results show that the two-gateways parallel 3-D electrical technology can accurately locate the water-rich areas, providing the basis for drilling drainage and grouting construction. 展开更多
关键词 The Two-Gateways PARALLEL 3-d electrical Technology Coal Face FLOOR Water-Rich Areas
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Tourmaline guiding the electric field and dechlorination pathway of 2,3-dichlorophenol by Desulfitobacterium hafniense
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作者 Yue Lu Fangyi Liang +7 位作者 Fanzhi Qin Linrui Zhong Jianhong Jiang Qi Liu Shoujuan Zhang Ming Yan Changzheng Fan Haoran Dong 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2024年第1期262-273,共12页
The dehalogenation of organohalides has been a research hotspot in bioremediation field;however,the influence of tourmaline,a natural ore that can generate spontaneous electric field,on organohalide-respiring bacteria... The dehalogenation of organohalides has been a research hotspot in bioremediation field;however,the influence of tourmaline,a natural ore that can generate spontaneous electric field,on organohalide-respiring bacteria(OHRB)and their dechlorination process is not well known.In this study,the effect and mechanism of tourmaline on the reductive dechlorination of 2,3-dichlorophenol(2,3-DCP)by Desulfitobacterium hafniense DCB-2Twere explored.The characterization results confirmed that tourmaline had good stability and the optimal dosage of tourmaline was 2.5 g/L,which shortened the total time required for dechlorination reaction to 72 hr.Besides,tourmaline amendment also increased the proportion of 2-chlorophenol(2-CP)from 18%to 30%of end products,while that of 3-CP decreased correspondingly.The theoretical calculations showed that the bond charge of the orthosubstituted chlorine declined from-0.179 to-0.067,and that of meta-substituted chlorine increased from-0.111 to-0.129,which indicated that the spontaneous electric field of tourmaline affected the charge distribution of 2,3-DCP and was more conducive to the generation of 2-CP.Overall,tourmaline with the spontaneous electric field affected the reductive dechlorination pathway of Desulfitobacterium,and the tourmaline-OHRB combining system might serve as a novel strategy for the bioremediation of environments polluted with chlorinated phenols. 展开更多
关键词 Reductive dechlorination Desulfitobacterium hafniense TOURMALINE electric field 2 3-dichlorophenol
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Visualization of 3-D Field of Explosion 被引量:1
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作者 孙娟 宁建国 《Journal of Beijing Institute of Technology》 EI CAS 2002年第4期397-400,共4页
In order to visualize the 3-D field of explosion and describe the complex physical phenomena of explosion, the 3-D data resulting from numerical simulation by 3-D multi-material in cell (MMIC), and the application of ... In order to visualize the 3-D field of explosion and describe the complex physical phenomena of explosion, the 3-D data resulting from numerical simulation by 3-D multi-material in cell (MMIC), and the application of volume visualization is explored, based on the characteristics of explosion and shock. Based on this, a visualization system for 3-D explosion--ViSC3D is designed. Approaches for the visualization of 3-D field of explosion are presented. The algorithm and the functions of ViSC3D are also presented. ViSC3D is thus a useful tool to observe and analyze either the full picture or the details of a 3-D field of explosion, that are difficult to observe and analyze directly. With ViSC3D, the field of explosion between the hill slopes is visualized. The cutaway views and 2-D slices are also given. The full picture and partial details of 3-D field of explosion can be observed clearly. Furthermore, ViSC3D can be used to visualize other similar 3-D data fields. 展开更多
关键词 VISUALIZATION 3-d explosion field ViSC3D
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内电场增强管状Z型In_(2)O_(3)/In_(2)S_(3)异质结的可控合成及光催化性能
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作者 牛志睿 彭欣悦 +4 位作者 王思雯 李孝义 雪文靖 夏国珺 袁淮钶 《延安大学学报(自然科学版)》 2024年第3期1-9,共9页
构建具有特殊形貌和增强内电场的异质结材料可以有效提高光催化剂的光生电子-空穴对的分离效率,从而提升光催化活性。采用两步溶剂热+热解可控合成了金属有机骨架(MOFs)衍生的Z型In_(2)O_(3)/In_(2)S_(3)异质结,利用表征分析、光催化降... 构建具有特殊形貌和增强内电场的异质结材料可以有效提高光催化剂的光生电子-空穴对的分离效率,从而提升光催化活性。采用两步溶剂热+热解可控合成了金属有机骨架(MOFs)衍生的Z型In_(2)O_(3)/In_(2)S_(3)异质结,利用表征分析、光催化降解实验对构建的异质结物相、形貌、光学特性和活性进行了系统研究。结果表明,管状形貌的In_(2)O_(3)/In_(2)S_(3)具有强的光吸收响应,在In_(2)O_(3)和In_(2)S_(3)界面处形成的强内电场抑制了光生电子-空穴对的复合。在可见光照射下,质量比1∶1的In_(2)O_(3)/In_(2)S_(3)表现出最优异的光催化活性,在60 min内对盐酸四环素(TCH)的降解率达到68.44%,反应动力学常数分别比In_(2)O_(3)和In_(2)S_(3)提高了29.8和3.2倍,经3次循环表现出良好的稳定性。电化学测试和自由基捕获试验表明,In_(2)O_(3)/In_(2)S_(3)异质结内电场强度相比In_(2)O_(3)和In_(2)S_(3)分别提高了3.89和2.42倍,超氧自由基(·O_(2)^(-))和空穴(h^(+))是光催化过程中主要活性物质。该研究为强内电场异质结的高效光催化剂可控合成提供了一种有效策略。 展开更多
关键词 光催化 MOFs衍生物 In_(2)O_(3)/In_(2)S_(3) 异质结 内电场
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CF_(3)SO_(2)F/N_(2)混合气体的电离特性试验研究 被引量:1
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作者 向志辉 郑宇 +2 位作者 任书波 周文俊 朱太云 《高电压技术》 EI CAS CSCD 北大核心 2024年第3期1331-1339,共9页
为评估CF_(3)SO_(2)F/N_(2)混合气体的绝缘性能,研究了其在电场中的电离特性。通过稳态汤逊实验(SST)测量获得了CF3SO2F摩尔分数分别为10%、20%、30%、40%、100%的CF_(3)SO_(2)F/N_(2)混合气体的有效电离系数和临界约化场强,研究了混合... 为评估CF_(3)SO_(2)F/N_(2)混合气体的绝缘性能,研究了其在电场中的电离特性。通过稳态汤逊实验(SST)测量获得了CF3SO2F摩尔分数分别为10%、20%、30%、40%、100%的CF_(3)SO_(2)F/N_(2)混合气体的有效电离系数和临界约化场强,研究了混合比例、约化场强和电极距离对其电离特性的影响,并比较了CF_(3)SO_(2)F/N_(2)混合气体相对于SF6的绝缘强度。结果表明:CF_(3)SO_(2)F摩尔分数为10%时,CF_(3)SO_(2)F/N_(2)混合气体的电离特性与N_(2)类似;随着CF_(3)SO_(2)F占比增大至20%以上后,CF3SO2F/N2混合气体的电离特性逐步由CF_(3)SO_(2)F主导;CF_(3)SO_(2)F/N_(2)混合气体相对于SF6的理论绝缘强度随着CF_(3)SO_(2)F摩尔分数的增大而增大,40%CF_(3)SO_(2)F/60%N_(2)混合气体的临界约化场强约为SF_(6)的1.01倍,但其对电场变化的敏感程度不如SF6。研究结果可为CF_(3)SO_(2)F/N_(2)混合气体的绝缘强度评估提供理论基础。 展开更多
关键词 CF_(3)SO_(2)F/N_(2)混合气体 SF_(6)替代气体 稳态汤逊实验 临界约化场强 有效电离系数
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Built-in electric field intensified by photothermoelectric effect drives charge separation over Z-scheme 3D/2D In_(2)Se_(3)/PCN heterojunction for high-efficiency photocatalytic CO_(2) reduction 被引量:1
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作者 Hongjun Dong Lei Tong +3 位作者 Pingfan Zhang Daqiang Zhu Jizhou Jiang Chunmei Li 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2024年第12期251-261,共11页
It is a challenging issue to further drive charge separation through the oriented design of Z-scheme het-erojunction in the exploitation of cost-effective photocatalytic materials.In this contribution,the unique Z-sch... It is a challenging issue to further drive charge separation through the oriented design of Z-scheme het-erojunction in the exploitation of cost-effective photocatalytic materials.In this contribution,the unique Z-scheme 3D/2D In_(2)Se_(3)/PCN heterojunction is developed through implanting In_(2)Se_(3) microspheres on PCN nanosheets using an in situ growth technique,which acquires the effective CO generation activity from photocatalytic CO_(2) reduction(CO_(2)R).The CO yield of 4 h in the CO_(2)R reaction over the optimal In_(2)Se_(3)/PCN-15 sample reaches up to 11.40 and 2.41 times higher than that of individual PCN and In_(2)Se_(3),respectively.Such greatly enhanced photocatalytic performance is primarily the improvement of photo-generated carrier separation efficiency.To be more specific,the formed built-in electric field is signifi-cantly intensified by producing the temperature difference potential between In_(2)Se_(3) and PCN owing to the photothermoelectric effect of In_(2)Se_(3),which actuates the high-efficiency separation of photogenerated charge carriers along the Z-scheme transfer path in the In_(2)Se_(3)/PCN heterojunction.The effective strat-egy of enhancing the built-in electric field to drive photogenerated charge separation proposed in this work opens up an innovative avenue to design Z-scheme heterojunction applied to high-efficiency pho-tocatalytic reactions,such as hydrogen generation from water splitting,CO_(2)R,and degradation of organic pollutants. 展开更多
关键词 In_(2)Se_(3)/PCN Z-scheme heterojunction Photocatalytic CO_(2)reduction Enhanced built-in electric field Photothermoelectric effect
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Field controllable electronic properties of MnPSe_(3)/WS_(2) heterojunction for photocatalysis 被引量:1
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作者 FANG Li-mei ZENG Ying +2 位作者 EKHOLM Marcus HU Chun-feng FENG Qing-guo 《Journal of Central South University》 SCIE EI CAS CSCD 2021年第12期3728-3736,共9页
Transition metal dichalcogenides are interesting candidates as photocatalysts for hydrogen evolution reaction.The MnPSe_(3)/WS_(2) heterostructure is hence studied here with first principles calculations by exploring ... Transition metal dichalcogenides are interesting candidates as photocatalysts for hydrogen evolution reaction.The MnPSe_(3)/WS_(2) heterostructure is hence studied here with first principles calculations by exploring its electronic properties under the application of an electric field.It is discovered that the band gap will decrease from the WS_(2) monolayer to the MnPSe_(3)/WS_(2) heterostructure with Perdew-Burke-Ernzerhof functional,while increase slightly when electron correlation is involved.The conduction band minimum of the heterostructure is determined by the MnPSe3 layer,while the valence band maximum is contributed by the WS_(2)layer.The band edges and band gap suggest that the heterostructure will have good photocatalytic properties for water splitting.Moreover,comparing to monolayer WS_(2),the light absorption in both the ultraviolet and visible regions will be enhanced.When an electric field is present,a linear relation is observed between the electric field and the band gap within specific range,which can thus modulate the photocatalytic performance of this heterostructure. 展开更多
关键词 MnPSe_(3) WS_(2) HETEROSTRUCTURE electric field PHOTOCATALYSIS first principles
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The First-Principle Calculation of La-doping Effect on Piezoelectricity in Tetragonal KNN Crystal 被引量:1
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作者 张乔丽 朱基亮 +7 位作者 袁大庆 朱波 王明松 朱小红 范平 左翼 郑永男 朱升云 《Plasma Science and Technology》 SCIE EI CAS CSCD 2012年第5期442-444,共3页
The La-dopping effect on the piezoelectricity in the K0.5Na0.5NbO3 (KNN) crystal with a tetragonal phase is investigated for the first time using the first-principle calculation based on density functional theory. T... The La-dopping effect on the piezoelectricity in the K0.5Na0.5NbO3 (KNN) crystal with a tetragonal phase is investigated for the first time using the first-principle calculation based on density functional theory. The full potentiallinearized augumented plane wave plus local orbitals (APW-LO) method and the supercell method are used in the calculation for the KNN crystal with and without the La doping. The results show that the piezoelectricity originates from the strong hybridization between the Nb atom and the O atom, and the substitution of the K or Na atom by the La impurity atom introduces the anisotropic relaxation and enhances the piezoelectricity at first and then restrains the hybridization of the Nb-O atoms when the La doping content further increases. 展开更多
关键词 PIEZOelectricITY La-doping effect K0.5Na0.sNbO3 crystal first-principle cal-culation electric field gradient
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内建电场与偶极场协同增强SnNb_(2)O_(6)/富氮C_(3)N_(5)S型异质结光催化性能
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作者 刘倩倩 杜兴 +2 位作者 李宛飞 戴维林 刘波 《物理化学学报》 SCIE CAS CSCD 北大核心 2024年第10期48-51,共4页
定向电荷转移是调控光生载流子分离动力学的一种极具吸引力的策略。本文通过在SnNb_(2)O_(6)纳米片上原位生长C_(3)N_(5)纳米棒,设计一种具有强内建电场(IEF)和偶极场(DF)的新型2D/1D SnNb_(2)O_(6)/富氮C_(3)N_(5)S型异质结。通过构筑... 定向电荷转移是调控光生载流子分离动力学的一种极具吸引力的策略。本文通过在SnNb_(2)O_(6)纳米片上原位生长C_(3)N_(5)纳米棒,设计一种具有强内建电场(IEF)和偶极场(DF)的新型2D/1D SnNb_(2)O_(6)/富氮C_(3)N_(5)S型异质结。通过构筑S型异质结,在界面处产生IEF,促进电荷从SnNb_(2)O_(6)向C_(3)N_(5)的定向迁移。与此同时,C_(3)N_(5)中的DF提供一种驱动力,将光生电子定向转移至活性位点。通过IEF和DF的协同效应,SnNb_(2)O_(6)/C_(3)N_(5)异质结实现了快速的定向电子转移,从而显著提高了电荷分离效率。研究结果表明,SnNb_(2)O_(6)/C_(3)N_(5)异质结的最佳产氢速率高达1090.0μmol·g^(-1)·h^(-1)(反应过程中持续释放H2气泡),分别是SnNb_(2)O_(6)和C_(3)N_(5)的38.8和10.7倍。此外,SnNb_(2)O_(6)/C_(3)N_(5)异质结在去除罗丹明B、四环素和Cr(Ⅵ)方面也表现出优异的光催化性能。通过电子顺磁共振(EPR)、时间分辨光致发光光谱(TPRL)和密度泛函理论(DFT)计算,本文系统探讨了SnNb_(2)O_(6)/C_(3)N_(5)异质结的定向电荷转移机制。这项研究为开发高效异质结光催化剂提供了一种可行的方法。 展开更多
关键词 SnNb_(2)O_(6)/C_(3)N_(5) 内建电场 偶极场 光催化性能 定向电荷转移
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3-D seismic interpretation of stratigraphic and structural features in the Upper Jurassic to Lower Cretaceous sequence of the Gullfaks Field,Norwegian North Sea:A case study of reservoir development 被引量:3
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作者 Muhammad Usman Numair Ahmed Siddiqui +3 位作者 Eduardo Garzanti Muhammad Jamil Qazi Sohail Imran Luqman Ahmed 《Energy Geoscience》 2021年第4期287-297,共11页
The 3-D seismic dataset is a key tool to analyze and understand the mechanism of structural and stratigraphic hydrocarbon(HC)trapping in the subsurface.Conventionally used subsurface seismic characterization methods f... The 3-D seismic dataset is a key tool to analyze and understand the mechanism of structural and stratigraphic hydrocarbon(HC)trapping in the subsurface.Conventionally used subsurface seismic characterization methods for fractures are based on the theory of effective anisotropy medium.The aim of this work is to improve the structural images with dense sampling of 3-D survey to evaluate structural and stratigraphic models for reservoir development to predict reservoir quality.The present study of the Gullfaks Field,located in the Norwegian North Sea Gullfaks sector,identifies the shallowest structural elements.The steepness of westward structural dip decreases eastward during the Upper Jurassic to Lower Cretaceous deposition.Reservoir sands consist of the Middle Jurassic deltaic deposits and Lower Jurassic fluvial channel and delta plain deposits.Sediment supply steadily prevails on sea-level rise and the succession displays a regressive trend indicated by a good continuous stacking pattern.The key factor for the development of reservoirs in the Gullfaks Field is fault transmissibility with spatially distributed pressure.The majority of mapped faults with sand-to-sand contacts are non-sealing,which provide restriction for the HC flow between the fault blocks.The traps for HC accumulation occur between the post-rift and syn-rift strata,i.e.antiform set by extensional system,unconformity trap at the top of syndeposition,and structural trap due to normal faults.Overall reservoir quality in the studied area is generally excellent with average 35%porosity and permeability in the Darcy range.Our findings are useful to better understand the development of siliciclastic reservoirs in similar geological settings worldwide. 展开更多
关键词 3-d seismic model Mesozoic stratigraphic boundary Structural trap Reservoir quality Gullfaks field
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一种新型等离子体共振效应调控的Ag/Ag_(3)PO_(4)/C_(3)N_(5)S型异质结光催化材料高效降解左氧氟沙星抗生素
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作者 董珂欣 申楚琦 +3 位作者 阎如玉 刘艳萍 庄春强 李世杰 《物理化学学报》 SCIE CAS CSCD 北大核心 2024年第10期43-47,共5页
抗生素在自然水体中的含量不断升高,引发的水体污染对社会的可持续发展构成了巨大威胁。光催化技术是一种高效且环保的环境净化技术,在解决环境污染方面具有巨大的应用前景。C_(3)N_(5)是一种性能优越的非贵金属光催化剂。然而,该催化... 抗生素在自然水体中的含量不断升高,引发的水体污染对社会的可持续发展构成了巨大威胁。光催化技术是一种高效且环保的环境净化技术,在解决环境污染方面具有巨大的应用前景。C_(3)N_(5)是一种性能优越的非贵金属光催化剂。然而,该催化剂的应用面临着一些挑战,比如光反应动力学较慢和光生载流子快速复合的问题。近期的研究表明,构筑独特的S型异质结是获得优良光催化剂的一种有效策略。因此,通过一种简易的制备方法成功构筑了一种等离子体效应协同的Ag/Ag_(3)PO_(4)/C_(3)N_(5)S型异质结光催化材料。由于等离子体效应和S型异质结的协同作用,Ag/Ag_(3)PO_(4)/C_(3)N_(5)异质结展现出优异的吸收太阳光的能力、高效分离光生载流子的能力以及强大的光氧化还原能力,能够在太阳光的激发下有效产生大量的·OH和·O_(2)^(-)自由基。因此,Ag/Ag_(3)PO_(4)/C_(3)N_(5)表现出卓越的光催化性能,对左氧氟沙星(LEV)的降解速率常数高达0.0362min^(-1),比C_(3)N_(5)、Ag_(3)PO_(4)和Ag_(3)PO_(4)/C_(3)N_(5)分别提高了24.8、1.1和0.7倍。此外,Ag/Ag_(3)PO_(4)/C_(3)N_(5)异质结具有出色的抗外界环境干扰性和可重复使用性。该研究为C_(3)N_(5)基光催化剂材料在环境净化方面迈出了坚实的一步。 展开更多
关键词 离子体共振效应 C_(3)N_(5) S型异质结 协同效应 抗生素去除 内建电场
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