检索结果-内蒙古大学图书馆

Comparative study of first-principles approaches for effective Coulomb interaction strength Ueff between localized f-electrons: lanthanide metals as an example

arXiv

引用

arXiv 2022年

作者： Liu, Bei-Lei Wang, Yue-Chao Liu, Yu Xu, Yuan-Ji Chen, Xin Song, Hong-Zhou Bi, Yan Liu, Hai-Feng Song, Hai-Feng School of Mathematical Sciences Beijing Normal University Beijing100875 China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing100088 China Institute for Applied Physics University of Science and Technology Beijing Beijing100083 China Center for High Pressure Science and Technology Advanced Research Beijing100094 China National Key Laboratory for Shock Wave and Detonation Physics Institute of Fluid Physics CAEP Mianyang621900 China

As correlation strength has a key influence on the simulation of strongly correlated materials, many approaches have been proposed to obtain the parameter using first-principles calculations. However, a comparison of the different Coulomb strengths obtained using these approaches and an investigation of the mechanisms behind them are still needed. Taking lanthanide metals as an example, we research the factors that affect the effective Coulomb interaction strength, Ueff, by local screened Coulomb correction (LSCC), linear response (LR), and constrained random-phase approximation (cRPA) in VASP. The UeffLSCC value increases from 4.75 eV to 7.78 eV, UeffLR is almost stable at about 6.0 eV (except for Eu, Er, and Yb), and UeffcRPA shows a two-stage decreasing trend in both light and heavy lanthanides. To investigate these differences, we establish a scheme to analyze the coexistence and competition between the orbital localization and the screening effect. We find that LSCC and cRPA are dominated by the orbital localization and the screening effect, respectively, whereas LR shows a balance of the competition between the two factors. Additionally, the performance of these approaches is influenced by different starting points from PBE and PBE+U, especially for cRPA. Our results provide useful knowledge for understanding the Ueff of lanthanide materials, and similar analyses can also be used in the research of other correlation strength simulation approaches. Copyright © 2022, The Authors. All rights reserved.

关键词： Rare earth elements

来源：评论

学校读者我要写书评

暂无评论

Determine Elastic Parameters and Nanocrystalline Size of Spinel Ferrites MFe2O4 (M = Co, Fe, Mn, Zn) Through X-Ray Diffraction and Infrared Spectrum: Comparative Approach

SSRN

引用

SSRN 2024年

作者： Nha, Tran Thi Ngoc Toan, Dang Ngoc Nam, Pham Hong Manh, Do Hung Khan, Dinh Thanh Phong, Pham Thanh Graduate University of Science and Technology Vietnam Academy of Science and Technology 18-Hoang Quoc Viet Hanoi City Viet Nam Institute of Research and Development Duy Tan University Danang550000 Viet Nam Faculty of Natural Sciences Duy Tan University Danang550000 Viet Nam Institute of Materials Science Vietnam Academy of Science and Technology 18-Hoang Quoc Viet Hanoi City Viet Nam University of Science and Education The University of Danang Danang550000 Viet Nam Laboratory of Magnetism and Magnetic Materials Science Technology Advanced Institute Van Lang University Ho Chi Minh City Viet Nam Faculty of Applied Technology School of Technology Van Lang University Ho Chi Minh City Viet Nam

MFe2O4 (M = Co, Fe, Mn, Zn) nanoparticles were successfully synthesized by coprecipitation. Rietveld refinement confirmed the spinel ferrite structure of the samples. Variation in elastic parameters was determined by Fourier transform infrared spectroscopy, and cation distribution was deduced from X-ray diffraction. X-ray diffraction peak expansion was analyzed by employing a variety of calculating methods such as modified Scherrer, Williamson–Hall, size–strain, and Halder–Wagner to determine the crystallite size and elastic parameters of the cubic-structured MFe2O4 nanoparticles, including intrinsic strain, stress, and energy density. Comparison of the results obtained from these different methods revealed that they are ideally suited to each other. Moreover, the average size of the particles was confirmed by the transmission electron microscopy image, which was consistent with the dimensions obtained from the preceding methods. © 2024, The Authors. All rights reserved.

关键词： Rietveld refinement

来源：评论

学校读者我要写书评

暂无评论

Phase Transformation Barrier Modulation of CsPbI3 Films Via PbI3− Complex for Efficient All-Inorganic Perovskite Photovoltaics

SSRN

引用

SSRN 2022年

作者： Qiu, Zhiwen Wang, Feng Wang, Chenyue Zhu, Cheng Wang, Hao Chen, Qi Chen, Yihua Zhang, Yu Guo, Zhenyu Li, Nengxu Zai, Huachao Vicent-Luna, José Manuel Tao, Shuxia Zhou, Huanping School of Materials Science and Engineering Peking University Beijing100871 China Department of Materials Science and Engineering Beijing Institute of Technology Beijing100081 China Zhangjiang Laboratory Shanghai Advanced Research Institute Chinese Academy of Sciences 239 Zhangheng Road Shanghai201204 China Department of Applied Physics Center for Computational Energy Research Department of Applied Physics Eindhoven University of Technology Eindhoven5600 MB Netherlands

Cesium lead iodide (CsPbI3) has gained great attention due to its thermal stability and appropriate bandgap (≈1.73 eV) at black (γ) phase potentially suitable for tandem solar cells. However, it is challenging to obtain CsPbI3 film with desired black phase. Herein, we fabricate kinetically favorable γ-CsPbI3 thin films by stoichiometry modulation, where in-situ 2D GIWAXS measurement was innovatively performed to illustrate the phase transition process of the precursor films, to aid a full picture study on the entire film evolution process. Conceptually different from introducing other extrinsic species, the cogenetic doping by excessive cesium iodide is found to tailor energy barriers for phase transformations during both the film formation and ageing process simultaneously. During film growth, excessive CsI affects the formation of Pb−I complex in the precursor solution, which facilitates the δ to γ phase transformation. Also, the Cs-rich resultant film could suppress γ to δ phase transformation. The corresponding CsPbI3 solar cells deliver a PCE of 16.68% without performance loss at continuous maximum power point output (MPP) for ~175 h under continuous illumination in a N2 glovebox. This work highlights the importance of precursors chemistry and provides guidelines to adjust the phase transformation barrier in CsPbI3 films without any foreign additives. © 2022, The Authors. All rights reserved.

关键词： Iodine compounds

来源：评论

学校读者我要写书评

暂无评论

development of a Flow Photocatalytic Reactor for the Photodecomposition of Ga(Iii) Complexes and Recovery of Free Ga(Iii) Radioisotopes

SSRN

引用

SSRN 2024年

作者： Tachibana, Tomotaka Ohira, Shin-Ichi Sugo, Yumi Ikeda, Shunsuke Kagawa, Gou Nogawa, Oju Kozaki, Daisuke Mori, Masanobu TOSA Innovative Human Development Programs Kochi University 2-5-1 Akebono-cho Kochi780-8520 Japan Department of Chemistry Kumamoto University 2-39-1 Kurokami Kumamoto860-8555 Japan Department of Radiation-Applied Biology Research Takasaki Advanced Radiation Research Institute National Institutes for Quantum Science and Technology 1233 Watanuki Takasaki370-1292 Japan Department of Chemistry and Life Science Graduate School of Science and Technology Kochi University 2-5-1 Akebono-cho Kochi780-8520 Japan

This report describes the development and application of a flow photocatalytic reactor for the effective photodecomposition of organic compounds and the recovery of a targeted metal ion;specifically, we describe the decomposition of a gallium-ethylenediaminetetraacetic acid (Ga-EDTA) complex. The system includes a scrubber, which increases the amount of dissolved oxygen in the solution before entering the photocatalytic reactor. First, the decomposition efficiency of the developed reactor is evaluated using dimethyl sulfoxide (DMSO). The decomposition of DMSO is accelerated upon introducing oxygen from the scrubber into the flowline. Second, we employ this system for the decomposition of Ga-EDTA and evaluate the recovery of a Ga radioisotope (RI), which can serve as a probe in positron emission tomography for medical diagnoses. The byproducts generated during Ga-EDTA photodecomposition are monitored by capillary electrophoresis, and the released Ga3+ concentrations are determined by inductively coupled plasma atomic emission spectroscopy for the stable isotope of Ga and with a scintillation detector for RI-Ga. After 30 min under ultraviolet irradiation, 54% of the RI-Ga released during the photodecomposition of 67Ga-EDTA was recovered. © 2024, The Authors. All rights reserved.

关键词： Ethylenediaminetetraacetic acid

来源：评论

学校读者我要写书评

暂无评论

Biomedical data and AI

引用

science China Life sciences 2025年第5期68卷 1536-1540页

作者： Hao Xu Shibo Zhou Zefeng Zhu Vincenzo Vitelli Liangyi Chen Ziwei Dai Ning Yang Luhua Lai Shengyong Yang Sergey Ovchinnikov Zhuoran Qiao Sirui Liu Chen Song Jianfeng Pei Han Wen Jianfeng Feng Yaoyao Zhang Zhengwei Xie Yang-Yu Liu Zhiyuan Li Fulai Jin Hao Li Mohammad Lotfollahi Xuegong Zhang Ge Yang Shihua Zhang Ge Gao Pulin Li Qi Liu Jing-Dong Jackie Han Peking-Tsinghua Center for Life Sciences (CLS) Academy for Advanced Interdisciplinary StudiesPeking University Center for Quantitative Biology (CQB) Academy for Advanced Interdisciplinary StudiesPeking University Peking University-Tsinghua University-National Institute of Biological Sciences Joint Graduate Program Academy for Advanced Interdisciplinary StudiesPeking University Department of Physics University of Chicago School of Life Sciences Southern University of Science and Technology Peking University Chengdu Academy for Advanced Interdisciplinary Biotechnologies College of Chemistry and Molecular Engineering Peking University Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan University Department of Biology Massachusetts Institute of Technology Lambic Therapeutics Inc. Changping Laboratory Al for Science Institute Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence Fudan University Department of Obstetrics and Gynecology West China Second University HospitalSichuan University Peking University International Cancer Institute and Peking University-Yunnan Baiyao International Medical Institute and State Key Laboratory of Natural and Biomimetic Drugs Department of Molecular and Cellular PharmacologySchool of Pharmaceutical SciencesPeking University Health Science CenterPeking University Channing Division of Network Medicine Department of MedicineBrigham and Women's Hospital and Harvard Medical School Center for Artificial Intelligence and Modeling the Carl R.Woese Institute for Genomic BiologyUniversity of Illinois Urbana-Champaign Department of Genetics and Genome Sciences School of Medicine and Department of Computer and Data Sciences and Department of Population and Quantitative Health SciencesCase Western Reserve University Department of Biochemistry and Biophysics University of California Sanger Institute Department of Automation Tsinghua University State Key Laboratory of Multimodal Artificial Intelligence Systems I

The development of artificial intelligence(AI) and the mining of biomedical data complement each other. From the direct use of computer vision results to analyze medical images for disease screening, to now integrating biological knowledge into models and even accelerating the development of new AI based on biological discoveries, the boundaries of both are constantly expanding, and their connections are becoming closer.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Discovery of an anomalous non-evaporating sub-nanometre water layer in open environment

arXiv

引用

arXiv 2024年

作者： Li, Zhijie Kong, Xi Sun, Haoyu Qu, Guanyu Yu, Pei Xie, Tianyu Zhao, Zhiyuan Shi, Guoshen Wang, Ya Shi, Fazhan Du, Jiangfeng CAS Key Laboratory of Microscale Magnetic Resonance School of Physical Sciences University of Science and Technology of China Hefei230026 China Anhui Province Key Laboratory of Scientific Instrument Development and Application University of Science and Technology of China Hefei230026 China The State Key Laboratory of Solid State Microstructures Department of Physics Nanjing University Nanjing210093 China Shanghai Applied Radiation Institute State Key Laboratory Advanced Special Steel Shanghai University Shanghai200444 China Hefei National Laboratory University of Science and Technology of China Hefei230088 China School of Biomedical Engineering Suzhou Institute for Advanced Research University of Science and Technology of China Suzhou215123 China Institute of Quantum Sensing School of Physics Zhejiang University Hangzhou310027 China

Water exhibits complex behaviors as a result of hydrogen bonding, and low-dimensional confined water plays a key role in material science, geology, and biology science. Conventional techniques like STM, TEM, and AFM enable atomic-scale observations but face limitations under ambient conditions and surface topographies. NV center magnetic resonance technology provides an opportunity to overcome these limitations, offering non-contact atomic-scale measurements with chemical resolution capability. In this study, a nanoscale layer dissection method was developed utilizing NV center technology to analyze water layers with diverse physicochemical properties. It unveiled the presence of a non-evaporating sub-nanometer water layer on a diamond surface under ambient conditions. This layer demonstrated impervious to atmospheric water vapor and exhibited unique electronic transport mediated via hydrogen bonding. These findings provide new perspectives and a platform for studying the structure and behavior of low-dimensional water, as well as the surface properties influenced by adsorbed water under native conditions. Copyright © 2024, The Authors. All rights reserved.

关键词： Hydrogen bonds

来源：评论

学校读者我要写书评

暂无评论

The Physical Parameters of EDFA and SOA Optical Amplifiers and Bit Sequence Variations Based Optical Pulse Generators Impact on the Performance of Soliton Transmission Systems

引用

Journal of Optical Communications 2024年第s1期45卷 s15-s20页

作者： Amiri, I.S. Rashed, Ahmed Nabih Zaki Ramya, K.C. Vinoth Kumar, K. Maheswar, R. Computational Optics Research Group Advanced Institute of Materials Science Ton Duc Thang University Ho Chi Minh City Viet Nam Faculty of Applied Sciences Ton Duc Thang University Ho Chi Minh City Viet Nam Department of Electronics and Electrical Communications Engineering Faculty of Electronic Engineering Menoufia University Menouf Egypt Department of EEE Sri Krishna College of Engineering and Technology Coimbatore India Department of EEE Karunya Institute of Technology and Sciences Coimbatore India School of EEE VIT Bhopal University Bhopal India

This study has outlined the effects of physical parameters of erbium doped fiber amplifier (EDFA), semiconductor optical amplifier (SOA) on the performance of amplified soliton transmission systems. Injection current-based SOA, EDFA length is taken into account. It is observed that the optimum soliton power and signal per noise ratio are achieved with 5m EDFA length and 900mA injection current-based SOA. As well as the bit sequence variations based user defined bit sequence generator are employed in order to measure the soliton transmission system performance. The signal per noise ratio is enhanced with 4 bit sequence. Soliton peak power, output soliton power, and maximum Q-factor are optimized with 8 bit sequence for soliton propagation length of 150km and possible transmission data rates of 160Gb/s. Improvement percentage ratio in soliton peak power by using two amplification techniques a long propagation length is deeply stimulated with optiwave simulation program. © 2019 Walter de Gruyter GmbH, Berlin/Boston.

关键词： Erbium doped fiber amplifiers

来源：评论

学校读者我要写书评

暂无评论

Conventional/Phase Shift Dual Drive Mach-Zehnder Modulation Measured Type Based Radio over Fiber Systems

引用

Journal of Optical Communications 2024年第s1期45卷 s123-s131页

作者： Amiri, I.S. Rashed, Ahmed Nabih Zaki Rahman, Ziaur Paul, Bikash Kumar Ahmed, Kawsar Computational Optics Research Group Advanced Institute of Materials Science Ton Duc Thang University Ho Chi Minh City Viet Nam Faculty of Applied Sciences Ton Duc Thang University Ho Chi Minh City Viet Nam Electronics and Electrical Communications Engineering Department Faculty of Electronic Engineering Menoufia University Menouf32951 Egypt School of Computer Science and Software Engineering RMIT University 414-418 Swanston Street MelbourneVIC3000 Australia Department of Information and Communication Technology Mawlana Bhashani Science and Technology University Santosh Tangail1902 Bangladesh Group of Bio-photomatiχ Mawlana Bhashani Science and Technology University Santosh Tangail1902 Bangladesh Department of Software Engineering Daffodil International University Sukrabad Dhanmondi Dhaka1207 Bangladesh

This work clarified the conventional/phase shift dual Mach-Zehnder modulation measured technique for upgrading radio over fiber (ROF) systems. Four levels of pulse amplitude modulation and non-return to zero code scheme are employed in different previous studies for upgrading ROF systems. The possible transmission distance is extended to 150 km and a bit rate of 40 Gb/s for achieved acceptable max. Q factor of 13.7498 and minimum bit error rates of 1.82×10-43. The total optical received power is measured at fiber cable length for maximum distance. Also, in the same way, the signal power levels are measured after fiber optic cable and avalanche photo detector optical receiver. The proposed model has presented the enhancement percentage ratio of 13.654% over the previous models in signal quality enhancement. © 2020 Walter de Gruyter GmbH, Berlin/Boston.

关键词： Q factor measurement

来源：评论

学校读者我要写书评

暂无评论

Effect of substrate temperature on growth mechanism and properties of PEALD-MgO dielectric films for amorphous-IGZO TFTs

引用

Surface and Coatings technology 2024年 483卷

作者： Su, Zhan-Bo Zhang, Xiao-Ying Lin, Xiao Li, Xiao-Long Quan, Cheng-Xiang Hsu, Chia-Hsun Gao, Peng Wu, Wan-Yu Wuu, Dong-Sing Lai, Feng-Min Lien, Shui-Yang Xiamen Key Laboratory of Development and Application for Advanced Semiconductor Coating Technology School of Opto-electronic and Communication Engineering Xiamen University of Technology Xiamen361024 China Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fujian Fuzhou350002 China Department of Materials Science and Engineering National United University Miaoli36063 Taiwan Department of Applied Materials and Optoelectronic Engineering National Chi Nan University Nantou 54561 Taiwan Department of Biomedical Engineering Da-Yeh University Changhua51591 Taiwan

Magnesium oxide (MgO) films have been prepared by plasma enhanced atomic layer deposition with bis(cyclopentadienyl)magnesium precursor and oxygen plasma reactant at substrate temperature between 150 °C and 450 °C. The structural, morphological, optical, and chemical properties of the prepared MgO films were studied by spectroscopic ellipsometer, grazing incidence X-ray diffraction (GIXRD), field emission scanning electron microscopy, atomic force microscopy, X-ray photoelectron spectroscopy (XPS). The electrical property of MgO film was obtained by performing capacitance-voltage measurement on the Al/MgO/Si structures. The experiment result shows that growth rate of MgO film decreases with the deposition temperature increased. GIXRD analysis presented that MgO films are cubic with predominantly (220) crystal orientation. XPS analysis shows that ratio of Mg/O is highest in MgO film prepared at 350 °C. To illustrate the possible applications of MgO film as a gate dielectric in thin film transistor (TFT), indium‑gallium‑zinc oxide (IGZO) was used as channel layer. The optimized IGZO/MgO TFT showed an electron mobility of 1.63 cm2/Vs, an on/off current ratio of 106, and a subthreshold swing of 0.50 V/decade at a low operation voltage of −0.11 V. © 2024 Elsevier B.V.

关键词： Magnesia

来源：评论

学校读者我要写书评

暂无评论

Control of photoelectron interference dynamics with two-color laser fields

引用

Physical Review research 2022年第1期4卷 013140-013140页

作者： Facheng Jin Weifeng Yang Xiwang Liu Hongdan Zhang Wenhui Dong Xiaohong Song Jing Chen Research Center for Advanced Optics and Photoelectronics Department of Physics College of Science Shantou University Shantou Guangdong 515063 China Faculty of Science Xi'an Aeronautical Institute Xi'an 710077 China Department of Physics School of Science Hainan University Haikou 570288 China Institute of Applied Physics and Computational Mathematics P.O. Box 8009 Beijing 100088 China HEDPS Center for Applied Physics and Technology Peking University Beijing 100084 China

We study the multiple interference structures in photoelectron momentum distributions (PMDs) of xenon atoms, whose dynamics can be manipulated effectively by a fundamental and weaker third-harmonic two-color laser fields, especially for an oblique interference pattern. It is found that this structure is only attributed to the contributions from the forward-scattered electrons as a Coulomb effect in strong-field physics. Further, the gross structure of the oblique interference arises from the forward-scattered electron ionized within a quarter-cycle of the fundamental field, and the fine structure is identified to originate from the intercycle interference of the trajectories. Moreover, we demonstrate that the multiple interference structure can be enhanced or suppressed by adjusting the relative phase of two colors. Our investigation shows that the two-color laser fields can be tailored with the purpose of manipulating specific dynamics process, which will be helpful to resolve ultrafast spatio-temporal information from the complex interference in strong-field ionization.

关键词： Atomic & molecular processes in external fields Multiphoton or tunneling ionization & excitation

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：