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Temporal and spatial study of differently charged ions emitted by ns-laser-produced tungsten plasmas using time-of-flight mass spectroscopy
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作者 Ding WU George C-Y CHAN +4 位作者 Xianglei MAO Yu LI Richard E RUSSO Hongbin DING Vassilia ZORBA 《Plasma Science and Technology》 SCIE EI CAS CSCD 2021年第9期176-183,共8页
Tungsten(W)is an important material in tokamak walls and divertors.The W ion charge state distribution and the dynamic behavior of ions play important roles in the investigation of plasma–wall interactions using lase... Tungsten(W)is an important material in tokamak walls and divertors.The W ion charge state distribution and the dynamic behavior of ions play important roles in the investigation of plasma–wall interactions using laser-ablation-based diagnostics such as laser-induced breakdown spectroscopy and laser-induced ablation spectroscopy.In this work,we investigate the temporal and spatial evolutions of differently charged ions in a nanosecond-laser-produced W plasma in vacuum using time-of-flight mass spectroscopy.Ions with different charge states from 1 to 7(W+to W7+)are all observed.The temporal evolutions of the differently charged ions show that ions with higher charge states have higher velocities,indicating that space separation occurs between the differently charged ion groups.Spatially-resolved mass spectroscopy measurements further demonstrate the separation phenomenon.The temporal profile can be accurately fitted by a shifted Maxwell–Boltzmann distribution,and the velocities of the differently charged ions are also obtained from the fittings.It is found that the ion velocities increase continuously from the measured position of 0.75 cm to 2.25 cm away from the target surface,which indicates that the acceleration process lasts through the period of plasma expansion.The acceleration and space separation of the differently charged ions confirm that there is a dynamic plasma sheath in the laser-produced plasma,which provides essential information for the theoretical laser-ablation model with plasma formation and expansion. 展开更多
关键词 laser ablation temporal and spatial evolution time-of-flight mass spectroscopy spatial separation differently charged ions
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Characterization of Interface Charge in NbAlO/AlGaN/GaN MOSHEMT with Different NbAlO Thicknesses
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作者 冯倩 杜锴 +2 位作者 代波 董良 冯庆 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第1期137-139,共3页
We investigate the influence of interface charge on electrical performance of NbAIO/A1GaN/GaN metal-oxide- semiconductor high electron mobility transistors (MOSHEMTs). Through C-V measurements and simulations, we fi... We investigate the influence of interface charge on electrical performance of NbAIO/A1GaN/GaN metal-oxide- semiconductor high electron mobility transistors (MOSHEMTs). Through C-V measurements and simulations, we find that the donor-type interface fixed charge density Qit of 2.2 × 10^13 cm^-2 exists at the NbA10/A1GaN interface, which induces the shift of the threshold voltage much more negative. Furthermore, a trap density of approximately 0.43 × 10^13-1.14 ×10^13 cm^-2 eV^-1 is obtained at the NaA10/AlGaN interface, which is consistent with the frequency-dependent capacitance and conductance measurement results. 展开更多
关键词 ALGAN Characterization of Interface charge in NbAlO/AlGaN/GaN MOSHEMT with different NbAlO Thicknesses
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Hydrocarbon enrichment characteristics and difference analysis in the TZ1-TZ4 well block of the Tarim Basin 被引量:3
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作者 Jiang Zhenxue Pang Xiongqi +3 位作者 Yang Haijun Li Zhuo Xiang Caifu Gu Qiaoyuan 《Petroleum Science》 SCIE CAS CSCD 2010年第2期201-210,共10页
The reservoirs in the TZ1-TZ4 well block of the Tarim Basin are complex, and the hydrocarbon enrichment shows differences. The three Carboniferous oil layers are characterized by "oil in the upper and lower layers an... The reservoirs in the TZ1-TZ4 well block of the Tarim Basin are complex, and the hydrocarbon enrichment shows differences. The three Carboniferous oil layers are characterized by "oil in the upper and lower layers and gas in the middle" in profile and "oil in the west and gas in the east" in plane view. In order to discuss the complex reservoir accumulation mechanisms, based on the petroleum geology and reservoir distribution, we studied the generation history of source rocks, the fault evolution and sealing, the accumulation periods and gas washing, and reconstructed the accumulation process of the TZ1-TZ4 well block. It is concluded that the hydrocarbon enrichment differences of oil layers CIII, CII and CI were caused by multiple sources and multi-period hydrocarbon charging and adjustment. The CII was closely related to CIII, but CI was formed by reservoir adjustment during the Yanshan period and was not affected by gas washing after it was formed. During the Himalayan period, different degrees of gas washing in the east and west led to hydrocarbon enrichment differences on the plane. The Carboniferous accumulation process of two-stage charging and one-stage adjustment is summarized: oil charging during the late Hercynian period is the first accumulation period of CIII and CII; oil reservoirs were adjusted into CI in the Yanshan period; finally gas washing in the Himalayan period is the second accumulation period of CIII and CII, but CI was not affected by gas washing. This complex accumulation process leads to the hydrocarbon enrichment differences in the TZ1-TZ4 well block. 展开更多
关键词 Tarim Basin enrichment difference multi-source and multi-period charging accumulation process
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Exploring photogenerated charge carrier transfer in semiconductor/metal junctions using Kelvin probe force microscopy 被引量:1
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作者 Chuanbiao Bie Zheng Meng +3 位作者 Bowen He Bei Cheng Gang Liu Bicheng Zhu 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2024年第6期11-19,共9页
Semiconductor/metal junctions are widely discussed in photocatalysis.However,there is a notable scarcity of systematic studies focusing on photogenerated charge carrier transfer in such junctions.Herein,CdS/Pt,CdS/Au,... Semiconductor/metal junctions are widely discussed in photocatalysis.However,there is a notable scarcity of systematic studies focusing on photogenerated charge carrier transfer in such junctions.Herein,CdS/Pt,CdS/Au,and CdS/Ag are synthesized to serve as model systems for investigating the charge carrier transfer in semiconductor/metal junctions.Kelvin probe force microscopy is employed to visualize the transfer of photogenerated carriers in these materials.The results show that the electron transfer behavior under illumination is related to the conduction band position of CdS and the Fermi level position of the metal.Moreover,Schottky junctions hinder the transfer of photogenerated electrons from CdS to Pt and Au,whereas ohmic contacts facilitate the transfer of photogenerated electrons from CdS to Ag.This work provides novel insights into the mechanisms governing the transfer of photogenerated carriers in semiconductor/metal junctions. 展开更多
关键词 Kelvin probe force microscopy Surface potential Work function Contact potential difference charge carrier transfer
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Different charging behaviors between electrons and holes in Si nanocrystals embedded in SiN_x matrix by the influence of near-interface oxide traps
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作者 方忠慧 江小帆 +3 位作者 陈坤基 王越飞 李伟 徐骏 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第1期457-461,共5页
Si-rich silicon nitride films are prepared by plasma-enhanced chemical vapor deposition method, followed by thermal annealing to form the Si nanocrystals(Si-NCs) embedded in Si Nx floating gate MOS structures. The c... Si-rich silicon nitride films are prepared by plasma-enhanced chemical vapor deposition method, followed by thermal annealing to form the Si nanocrystals(Si-NCs) embedded in Si Nx floating gate MOS structures. The capacitance–voltage(C–V), current–voltage(I–V), and admittance–voltage(G–V) measurements are used to investigate the charging characteristics. It is found that the maximum flat band voltage shift(△VFB) due to full charged holes(~ 6.2 V) is much larger than that due to full charged electrons(~ 1 V). The charging displacement current peaks of electrons and holes can be also observed by the I–V measurements, respectively. From the G–V measurements we find that the hole injection is influenced by the oxide hole traps which are located near the Si O2/Si-substrate interface. Combining the results of C–V and G–V measurements, we find that the hole charging of the Si-NCs occurs via a two-step tunneling mechanism. The evolution of G–V peak originated from oxide traps exhibits the process of hole injection into these defects and transferring to the Si-NCs. 展开更多
关键词 silicon nanocrystals memory different charging of electrons and holes oxide traps admittancevoltage characteristics
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A PLL Clock Frequency Multiplier Using Dynamic Current Matching Adaptive Charge-Pump and VCO Frequency Reuse
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作者 ZHANG Tao ZOU Xuecheng +1 位作者 ZHAO Guangzhou SHEN Xubang 《Wuhan University Journal of Natural Sciences》 CAS 2007年第3期491-495,共5页
A 3.5 times PLL clock frequency multiplier for low voltage different signal (LVDS) driver is presented. A novel adaptive charge pump can automatically switch the loop bandwidth and a voltage-controlled oscillator (... A 3.5 times PLL clock frequency multiplier for low voltage different signal (LVDS) driver is presented. A novel adaptive charge pump can automatically switch the loop bandwidth and a voltage-controlled oscillator (VCO) is designed with the aid of frequency ranges reuse technology. The circuit is implemented using 1st Silicon 0.25 μm mixed-signal complementary metal-oxide-semiconductor (CMOS) process. Simulation results show that the PLL clock frequency multiplier has very low phase noise and very short capture time . 展开更多
关键词 low voltage different signal phase locked loop MULTIPLIER adaptive charge pump phase noise
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Direct Visual Evidence for Neutral and Charged Hexaphyrin Aromaticity with and without Keto-Defect
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作者 Shan Zhang Peng Song +5 位作者 Sha Wang Yu-ling Chu Yuan-zuo Li Zhong Yang Yong Ding Feng-cai Ma 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第5期563-570,I0003,共9页
We use density functional theory and time-dependent together with a set of extensive mul- tidimensional visualization techniques to characterize the influence of keto effect on charge distribution at ground state and ... We use density functional theory and time-dependent together with a set of extensive mul- tidimensional visualization techniques to characterize the influence of keto effect on charge distribution at ground state and electronic transitions for neutral and charged hexaphyrin aromaticity with and without keto-defect. It is found that the aromaticity is the key fac- tor to influence the ground state Mulliken charges distribution properties, other than the meso-aryl-substituted effect. But with the enhancement of the keto-defect, the distribution changes of Mulliken charges on the hexaphyrin groups are larger than those on the pentaflu- orophenyl substituted groups, following with the aromaticity changes from nonaromatic to aromatic. Furthermore, through characterizing by transition density and charge difference density, direct visual evidence for neutral and charged aromaticity with and without keto- defect can be clearly derived, and the ability of charge transfer between units of monoradical (nonaromaticity) and singlet biradical (aromaticity) forms is much stronger than that of neutral forms. 展开更多
关键词 AROMATICITY Keto-defect PORPHYRIN charge difference density Transitiondensity
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Scaling dependence of memory windows and different carrier charging behaviors in Si nanocrystal nonvolatile memory devices
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作者 于杰 陈坤基 +5 位作者 马忠元 张鑫鑫 江小帆 吴仰晴 黄信凡 Shunri Oda 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第9期518-522,共5页
Based on the charge storage mode,it is important to investigate the scaling dependence of memory performance in silicon nanocrystal(Si-NC) nonvolatile memory(NVM) devices for its scaling down limit.In this work,we... Based on the charge storage mode,it is important to investigate the scaling dependence of memory performance in silicon nanocrystal(Si-NC) nonvolatile memory(NVM) devices for its scaling down limit.In this work,we made eight kinds of test key cells with different gate widths and lengths by 0.13-μm node complementary metal oxide semiconductor(CMOS) technology.It is found that the memory windows of eight kinds of test key cells are almost the same of about1.64 V @ ±7 V/1 ms,which are independent of the gate area,but mainly determined by the average size(12 nm) and areal density(1.8×10^(11)/cm^2) of Si-NCs.The program/erase(P/E) speed characteristics are almost independent of gate widths and lengths.However,the erase speed is faster than the program speed of test key cells,which is due to the different charging behaviors between electrons and holes during the operation processes.Furthermore,the data retention characteristic is also independent of the gate area.Our findings are useful for further scaling down of Si-NC NVM devices to improve the performance and on-chip integration. 展开更多
关键词 silicon nanocrystals nonvolatile memory scaling dependence different charging behaviors
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Why Static O-H Bond Parameters Cannot Characterize the Free Radical Scavenging Activity of Phenolic Antioxidants: ab initio Study
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作者 Hong Yu ZHANG You Min SUN De Zhan CHEN 《Chinese Chemical Letters》 SCIE CAS CSCD 2001年第1期75-78,共4页
The static O-H bond parameters including O-H bond length, O-H charge difference, O-H Mulliken population and O-H bond stretching force constant (k) for 17 phenols were calculated by ab initio method HF/6-31G**. In com... The static O-H bond parameters including O-H bond length, O-H charge difference, O-H Mulliken population and O-H bond stretching force constant (k) for 17 phenols were calculated by ab initio method HF/6-31G**. In combination with the O-H bond dissociation enthalpies (BDE) of the phenols determined by experiment, it was found that there were poor correlationships between the static O-H bond parameters and O-H BDE. Considering the good correlationship bt tween O-H BDE and logarithm of free radical scavenging rate constant for phenolic antioxidant, it is reasonable to believe that the ineffectiveness of static O-H bond parameters in characterizing antioxidant activity arises from the fact that they cannot measure the O-H BDE. 展开更多
关键词 ANTIOXIDANTS free radical scavenging effect o-h bond dissociation enthalpy o-h bond length o-h bond stretching force constant o-h charge difference o-h Mulliken population QSAR
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爆破作业下黄土围岩的破碎特征及响应规律
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作者 张文杰 邓龙胜 +4 位作者 于渤 杨洲 杜中东 宋方述 邹煜 《爆破》 北大核心 2026年第1期109-122,共14页
在黄土地区进行爆破施工时,爆破对黄土围岩的破碎效应和挤密效应,对工程施工质量及爆破施工设计至关重要。为探究在爆破作用下黄土围岩的破碎效应和挤密效应,进行现场爆破试验,并采用数字图像处理技术,提取爆腔围岩表面的裂隙和块体的特... 在黄土地区进行爆破施工时,爆破对黄土围岩的破碎效应和挤密效应,对工程施工质量及爆破施工设计至关重要。为探究在爆破作用下黄土围岩的破碎效应和挤密效应,进行现场爆破试验,并采用数字图像处理技术,提取爆腔围岩表面的裂隙和块体的特征,分析围岩的破碎特征。同时测量爆腔轮廓及周围裂隙,并进行室内试验,确定爆破土体分区及各分区范围。在现场实验基础上,利用LS-DYNA建立数值模型,并改变炸药长度,进行不同炸药量的黄土爆破模拟。结果表明:爆破后黄土可细分为5个区,分别为空腔区、破碎区、裂纹区、挤密区和弹性变形区,且每个区形状均为椭圆形。其中破碎区土体同时发育宽大的贯通裂隙与“细短型”裂隙,裂隙多以“T”型节点相交,块体多为不规则四边形,且块体形态复杂内部发育大量裂隙。而裂纹区裂隙以“细长型”为主,裂隙多以“Y”型节点相交,块体多为不规则五边形和六边形。在不同炸药量爆破作用下,爆腔与影响范围的径向半径与炸药量呈双曲线函数关系,两者的轴向半径与炸药量呈一次函数关系。 展开更多
关键词 现场爆破试验 破碎特征 爆破土体分区 黄土爆破模拟 不同炸药量 影响范围
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锂电池组多层电感主动均衡方法设计
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作者 徐方旭 田恩刚 李磊 《电子科技》 2026年第1期1-8,共8页
针对传统多层电感均衡电路存在的均衡时间利用率低、均衡速度慢以及均衡电流不连续等问题,文中提出了改进型多层电感均衡电路。改进型电路通过在电路结构中增加均衡电感与耦合电容能够有效实现电池组内高电压电池的电荷向低电压电池转移... 针对传统多层电感均衡电路存在的均衡时间利用率低、均衡速度慢以及均衡电流不连续等问题,文中提出了改进型多层电感均衡电路。改进型电路通过在电路结构中增加均衡电感与耦合电容能够有效实现电池组内高电压电池的电荷向低电压电池转移,同时保证了均衡电流的连续性,提升了均衡时间的利用率和均衡速度。实验结果表明,在相同初始条件下,相较于传统设计,改进型电路均衡时间缩短了58.9%,均衡速度提高了160%,均衡效率提升了1.49%,且均衡结束时的最大电压差由10.4 mV减少到6.0 mV。实验结果证明了改进型电路在减少均衡时间、加快均衡速度、提高均衡效率以及优化均衡效果等方面的有效性。 展开更多
关键词 多层电感 均衡电路 均衡电流 电荷转移 均衡时间 均衡速度 均衡效率 电压差 电池组
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State of charge estimation by finite difference extended Kalman filter with HPPC parameters identification 被引量:18
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作者 HE Lin HU MinKang +2 位作者 WEI YuJiang LIU BingJiao SHI Qin 《Science China(Technological Sciences)》 SCIE EI CAS CSCD 2020年第3期410-421,共12页
State of charge(SOC) is a key parameter of lithium-ion battery. In this paper, a finite difference extended Kalman filter(FDEKF)with Hybrid Pulse Power Characterization(HPPC) parameters identification is proposed to e... State of charge(SOC) is a key parameter of lithium-ion battery. In this paper, a finite difference extended Kalman filter(FDEKF)with Hybrid Pulse Power Characterization(HPPC) parameters identification is proposed to estimate the SOC. The finite difference(FD) algorithm is benefit to compute the partial derivative of nonlinear function, which can reduce the linearization error generated by the extended Kalman filter(EKF). The FDEKF algorithm can reduce the computational load of controller in engineering practice without solving the Jacobian matrix. It is simple of dynamic model of lithium-ion battery to adopt a secondorder resistor-capacitor(2 RC) network, the parameters of which are identified by the HPPC. Two conditions, both constant current discharge(CCD) and urban dynamometer driving schedule(UDDS), are utilized to validate the FDEKF algorithm.Comparing convergence rate and accuracy between the FDEKF and the EKF algorithm, it can be seen that the former is a better candidate to estimate the SOC. 展开更多
关键词 state of charge lithium-ion battery parameters identification finite difference algorithm extended Kalman filter
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一种新型轨道角动量光纤的设计与研究
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作者 赵丽娟 静恩博 +5 位作者 徐志钮 华子明 姬昆鹏 李军辉 许长清 李文锋 《半导体光电》 北大核心 2025年第1期75-82,共8页
设计并研究了一种包层采用三层矩形空气孔结构的新型光子晶体光纤。通过有限元法建模并优化确定了该光纤的最优结构,进一步分析了其在1 300~1 700 nm波长范围内的关键光学参数。结果表明,该光纤在此波段内可支持46种轨道角动量模式的稳... 设计并研究了一种包层采用三层矩形空气孔结构的新型光子晶体光纤。通过有限元法建模并优化确定了该光纤的最优结构,进一步分析了其在1 300~1 700 nm波长范围内的关键光学参数。结果表明,该光纤在此波段内可支持46种轨道角动量模式的稳定传输,且相邻模式间的有效折射率差均大于1×10^(-4)。此外,模式纯度均达到98.8%,有效模场面积均大于6.4×10^(-11)m^(2),非线性系数均低于2.24×10^(-3),数值孔径最大值为0.1180。与现有光子晶体光纤相比,该设计具有传输模式数量多、传输损耗低、材料易获取等优点,表明其具备在未来大容量光纤通信系统中的潜在应用价值。 展开更多
关键词 轨道角动量 新型光子晶体光纤 有效模式折射率差 高拓扑荷数
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氢渗透对管道环氧粉末内涂层性能影响研究
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作者 李东阳 赵琳娅 +4 位作者 冀辉 翟星月 石朵儿 赵君 刘国豪 《全面腐蚀控制》 2025年第10期125-129,共5页
为了深入探究氢渗透对管道环氧粉末内涂层性能的影响,本文以环氧粉末内涂层为研究对象,采用压差法研究涂层阻氢性能,采用电化学充氢法观察充氢前后涂层表面是否出现腐蚀、裂纹和鼓泡等现象,同时采用拉拔法测试涂层附着力。结果表明,随... 为了深入探究氢渗透对管道环氧粉末内涂层性能的影响,本文以环氧粉末内涂层为研究对象,采用压差法研究涂层阻氢性能,采用电化学充氢法观察充氢前后涂层表面是否出现腐蚀、裂纹和鼓泡等现象,同时采用拉拔法测试涂层附着力。结果表明,随着涂层厚度的增加,涂层阻气性能增加,但其氢透过系数和氢扩散系数均在同一数量级,表明涂层厚度对氢透过系数和扩散系数影响较小;观察充氢前后涂层表面形貌,充氢后,涂层表面未出现腐蚀、裂纹和鼓泡等现象,随着充氢时间的延长,涂层的附着力逐渐减小,涂层对基体的防护性能下降。 展开更多
关键词 内涂层 电化学充氢 压差法 阻氢性能
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基于气体−水耦合装药结构的台阶爆破损伤效果研究
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作者 陈成 石万波 薛绍 《路基工程》 2025年第6期138-143,共6页
基于ANSYS软件的LS-DYNA动力分析模块,提出一种模拟气体−水耦合控裂爆破的新方法,分析边坡台阶爆破过程中的动态开裂行为,探讨耦合介质对岩土体爆破效果的影响。理论和数值计算结果显示:采用气体−水耦合爆破可获得良好的边坡台阶开挖效... 基于ANSYS软件的LS-DYNA动力分析模块,提出一种模拟气体−水耦合控裂爆破的新方法,分析边坡台阶爆破过程中的动态开裂行为,探讨耦合介质对岩土体爆破效果的影响。理论和数值计算结果显示:采用气体−水耦合爆破可获得良好的边坡台阶开挖效果。该研究成果成功应用于渑淅高速公路土石方爆破工程,取得了良好效益。 展开更多
关键词 台阶爆破 装药结构 岩土体损伤 效果对比 能量差异 优势
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塔里木盆地库车坳陷博孜—大北地区差异成藏过程及控藏因素 被引量:1
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作者 陈维力 潘永帅 +4 位作者 范坤宇 柳波 赵佳琦 黄志龙 李志豪 《东北石油大学学报》 北大核心 2025年第1期61-76,I0005,I0006,共18页
基于平衡剖面恢复、生烃过程模拟、岩心观察、流体包裹体测试、地层水地球化学数据、胶结物碳氧同位素和测井数据等资料,研究塔里木盆地库车坳陷博孜—大北地区巴什基奇克组二段(巴二段)差异成藏过程及控藏因素。结果表明:博孜—大北地... 基于平衡剖面恢复、生烃过程模拟、岩心观察、流体包裹体测试、地层水地球化学数据、胶结物碳氧同位素和测井数据等资料,研究塔里木盆地库车坳陷博孜—大北地区巴什基奇克组二段(巴二段)差异成藏过程及控藏因素。结果表明:博孜—大北地区巴二段发育一系列逆冲断层和断背斜圈闭,圈闭幅度和闭合高度由北向南逐渐降低,形成时间逐渐变晚;烃源岩充注强度由北向南逐渐减弱,生烃时间逐渐变晚。巴二段整体具有早期聚油和晚期聚气的特征,受控于烃源岩热演化程度和构造演化过程,不同地区和区带的油气成藏期次存在差别;博孜—大北地区南带巴二段快速深埋时间极晚,导致油气充注期次和储层致密化时间晚于中北带的。不同地区和区带之间的差异成藏过程受控于圈闭条件、烃源岩充注强度、油气充注期次、储层非均质性和保存条件等因素;圈闭幅度越大、生烃时间越早、充注强度越强、优质储层占比越高、保存条件越好,巴二段油气水分异越彻底,产量越高。该结果为库车坳陷及其他具有相似地质条件的地区油气勘探提供依据。 展开更多
关键词 构造挤压 生烃演化 充注期次 差异成藏过程 控藏因素 博孜—大北地区 库车坳陷 塔里木盆地
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分子模拟软件在结构化学课程教学中的应用——NiFe水滑石电催化OER第一性原理计算 被引量:1
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作者 李亚平 安赛 +2 位作者 曹爱青 李世龙 雷鸣 《大学化学》 2025年第3期160-170,共11页
在结构化学课程教学中,由于一些概念的抽象性常常让学生们感到难以理解。因此,本文构建NiFe层状双氢氧化物(NiFe-LDH)电催化析氧反应(OER)第一性原理计算实验,采用Materials Studio(MS)软件构建NiFe-LDH(100)晶面和(110)晶面的结构模型... 在结构化学课程教学中,由于一些概念的抽象性常常让学生们感到难以理解。因此,本文构建NiFe层状双氢氧化物(NiFe-LDH)电催化析氧反应(OER)第一性原理计算实验,采用Materials Studio(MS)软件构建NiFe-LDH(100)晶面和(110)晶面的结构模型,使用第一性原理计算软件VASP对其电催化析氧反应(OER)性能进行理论研究,通过VESTA软件显示差分电荷密度,并分析计算结果。设计实验采用“理论知识讲解+软件操作演示+科研案例分析”相结合的模式,不仅有利于学生加强对晶体结构、空间点群等抽象概念的理解,而且使课程教学内容变得形象具体,激发学生学习结构化学课程的兴趣。这既提升学生采用分子模拟软件解决化学中科学问题的研究水平,同时培养学生剖析化学中结构与性质关系的创新思维。 展开更多
关键词 结构化学 NiFe层状双氢氧化物 Materials Studio 第一性原理计算 差分电荷
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调整Keggin型多金属氧酸盐电子结构构建S型异质结用于光催化析氢
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作者 苗鑫宇 杨浩 +2 位作者 何杰 王晶 靳治良 《物理化学学报》 北大核心 2025年第6期23-35,共13页
缓慢的电子迁移速率和显著的电子-空穴复合是实现高光催化效率的重大障碍。利用多种催化剂构建异质结可以有效增强电荷分离。通过水热合成制备了一系列Keggin型空心十二面体多金属氧酸盐,并通过添加金属元素对其分子轨道进行修饰。金属... 缓慢的电子迁移速率和显著的电子-空穴复合是实现高光催化效率的重大障碍。利用多种催化剂构建异质结可以有效增强电荷分离。通过水热合成制备了一系列Keggin型空心十二面体多金属氧酸盐,并通过添加金属元素对其分子轨道进行修饰。金属元素的引入调节了多金属氧酸盐的电子结构,有效增强了多金属氧酸盐的电子聚集能力。单一组分催化剂常常面临严重的空穴-电子复合问题。为了解决这一问题,提出了构建异质结的方案以提高电子传输效率。通过将ZnCdS纳米颗粒固定在多金属氧酸盐表面形成异质结结构,显著增强了界面电荷传输能力。密度泛函理论(DFT)计算和实验结果表明,金属组分的调控使多金属氧酸盐具有更有利的能级轨道。ZnCdS和KMoP S型异质结的催化机制也得到了验证。S型异质结的形成进一步提高了电子传输效率,与其他传统异质结相比,实现了光生电子和空穴的高效利用。此外,S型异质结使催化剂的d带中心更接近费米能级,从而提高了导电能力。本文为多金属氧酸盐的能级调控和S型异质结的设计提供了一种新方法。 展开更多
关键词 ZnCdS KEGGIN型多金属氧酸盐 空心结构 电荷密度差分 d带中心调节 S型异质结
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涡旋光轨道角动量的拓扑荷差值法测量 被引量:1
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作者 王华鑫 王彤 熊晗 《中国光学(中英文)》 北大核心 2025年第2期216-223,共8页
本文提出一种针对涡旋光轨道角动量的拓扑荷差值检测技术。通过两束拓扑荷不同的涡旋光得到周期性的差值法强度分布图,读取其中一个周期的光斑个数,即可快速准确地计算出待测涡旋光的轨道角动量。相比干涉法和衍射法等需要接收完整涡旋... 本文提出一种针对涡旋光轨道角动量的拓扑荷差值检测技术。通过两束拓扑荷不同的涡旋光得到周期性的差值法强度分布图,读取其中一个周期的光斑个数,即可快速准确地计算出待测涡旋光的轨道角动量。相比干涉法和衍射法等需要接收完整涡旋光的传统检测方法,拓扑荷差值法只需接收小部分涡旋光即可进行测量,这在高阶、大尺寸涡旋光测量方面有非常大的优势,在涡旋光的远距离自由空间光通信方面具有潜在应用。 展开更多
关键词 涡旋光 轨道角动量 拓扑荷差值 自由空间光通信
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面向电网负荷稳定的电动汽车自适应离散充电调度策略
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作者 王锦怡 李德识 朱舒雅 《计算机工程》 北大核心 2025年第11期45-53,共9页
随着电动汽车的快速发展,大量的充电需求将带来配电网负荷峰谷差加剧、充电负荷的不确定性等问题。为此,面向电网负荷稳定提出了自适应离散充电调度策略。构建离散充电调度模型,通过对电动汽车充电过程中的状态决策变量和充电功率进行... 随着电动汽车的快速发展,大量的充电需求将带来配电网负荷峰谷差加剧、充电负荷的不确定性等问题。为此,面向电网负荷稳定提出了自适应离散充电调度策略。构建离散充电调度模型,通过对电动汽车充电过程中的状态决策变量和充电功率进行联合优化,以最小化配电网负荷的峰谷差。为了满足电动汽车的实时充电需求,设计车辆充电区间的自适应调整方法,根据不同电动汽车的到达时间和离开时间,实时调整电动汽车的充电调度区间。然而,离散充电调度模型中的状态决策变量和充电功率具有高耦合性,是混合整数非线性规划(MINLP)问题。为解决该问题,首先,通过计算充电负荷裕度求解时隙的充电负荷分配率;然后,基于不同时隙的负荷动态分配,对充电状态决策变量进行迭代更新;最后,基于更新的状态决策变量,优化时间离散的充电功率。仿真结果表明,提出的调度策略可以有效降低配电网负荷的峰谷差,提高电网稳定性,并可灵活满足电动汽车的实时充电需求。 展开更多
关键词 电动汽车 峰谷差 实时充电 自适应离散 状态决策
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