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arXiv 2024年

作者： Wu, Jianchang Torresi, Luca Hu, ManMan Reiser, Patrick Zhang, Jiyun Rocha-Ortiz, Juan S. Wang, Luyao Xie, Zhiqiang Zhang, Kaicheng Park, Byung-Wook Barabash, Anastasia Zhao, Yicheng Luo, Junsheng Wang, Yunuo Lüer, Larry Deng, Lin-Long Hauch, Jens A. Seok, Sang Il Friederich, Pascal Brabec, Christoph J. Erlangen91058 Germany Erlangen91058 Germany Karlsruhe76131 Germany Karlsruhe76131 Germany Ulsan44919 Korea Republic of State Key Lab for Physical Chemistry of Solid Surfaces Department of Chemistry College of Chemistry and Chemical Engineering Pen-Tung Sah Institute of Micro-Nano Science and Technology Xiamen University Xiamen361005 China National Key Laboratory of Electronic Films and Integrated Devices School of Integrated Circuit Science and Engineering University of Electronic Science and Technology of China Chengdu611731 China Zernike Institute for Advanced Materials University of Groningen Groningen9747 AG Netherlands

The inverse design of tailored organic molecules for specific optoelectronic devices of high complexity holds an enormous potential, but has not yet been realized1,2. The complexity and literally infinite diversity of conjugated molecular structures present both, an unprecedented opportunity for technological breakthroughs as well as an unseen optimization challenge. Current models rely on big data3,4, which do not exist for specialized research films. However, a hybrid computational and high throughput experimental screening workflow allowed us to train predictive models with as little as 149 molecules. We demonstrate a unique closed-loop workflow combining high throughput synthesis and Bayesian optimization that discovers new hole transporting materials with tailored properties for solar cell applications. A series of high-performance molecules were identified from minimal suggestions, achieving up to 26.23% (certified 25.88%) power conversion efficiency in perovskite solar cells. Our work paves the way for rapid, informed discovery in vast molecular libraries, revolutionizing material selection for complex devices. We believe that our approach can be generalized to other emerging fields and indeed accelerate the development of optoelectronic semiconductor devices in general. © 2024, CC BY.

关键词： Perovskite solar cells

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Electric imaging and dynamics of photo-charged graphene edge

arXiv

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arXiv 2024年

作者： Ding, Zhe Chen, Zhousheng Fan, Xiaodong Zhang, Weihui Fu, Jun Sun, Yumeng Cheng, Zhi Yu, Zhiwei Yang, Kai Li, Yuxin Liu, Xing Wang, Pengfei Wang, Ya Jiang, Jianhua Zeng, Hualing Zeng, Changgan Shi, Guosheng 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 Hefei National Laboratory University of Science and Technology of China Hefei230088 China Department of Chemical Physics University of Science and Technology of China Hefei230026 China CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics Department of Physics University of Science and Technology of China Hefei230026 China Hefei National Research Center for Physical Science at the Microscale University of Science and Technology of China Hefei230026 China Shanghai Applied Radiation Institute and State Key Lab Advanced Special Steel Shanghai University Shanghai200444 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

The one-dimensional side gate based on graphene edges shows a significant capability of reducing the channel length of field-effect transistors, further increasing the integration density of semiconductor devices. The nano-scale electric field distribution near the edge provides the physical limit of the effective channel length, however, its imaging under ambient conditions still lacks, which is a critical aspect for the practical deployment of semiconductor devices. Here, we used scanning nitrogen-vacancy microscopy to investigate the electric field distribution near edges of a single-layer-graphene. Real-space scanning maps of photo-charged floating graphene flakes were acquired with a spatial resolution of ∼ 10 nm, and the electric edge effect was quantitatively studied by analyzing the NV spin energy level shifts due to the electric Stark effect. Since the graphene flakes are isolated from external electric sources, we brought out a theory based on photo-thermionic effect to explain the charge transfer from graphene to oxygen-terminated diamond probe with a disordered distribution of charge traps. Real-time tracing of electric fields detected the photo-thermionic emission process and the recombination process of the emitted electrons. This study provides a new perspective for graphene-based one-dimensional gates and opto-electronics with nanoscale real-space imaging, and moreover, offers a novel method to tune the chemical environment of diamond surfaces based on optical charge transfer. Copyright © 2024, The Authors. All rights reserved.

关键词： Stark effect

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Annual research review of perovskite solar cells in 2023

材料展望（英文）

引用

材料展望（英文） 2024年第2期3卷 161-213页

作者： Qisen Zhou Xiaoxuan Liu Zonghao Liu Yanqing Zhu Jianfeng Lu Ziming Chen Canjie Li Jing Wang Qifan Xue Feifei He Jia Liang Hongyu Li Shenghao Wang Qidong Tai Yiqiang Zhang Jiehua Liu Chuantian Zuo Liming Ding Zhenghong Xiong Renhao Zheng Huimin Zhang Pengjun Zhao Xi Jin Pengfei Wu Fei Zhang Yan Jiang Huanping Zhou Jinsong Hu Yang Wang Yanlin Song Yaohua Mai Baomin Xu Shengzhong Liu Liyuan Han Wei Chen Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyLuoyu Road 1037Wuhan 430074People's Republic of China Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyLuoyu Road 1037Wuhan 430074People's Republic of China Optics Valley Laboratory Hubei 430074People's Republic of China State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070People's Republic of China State Key Laboratory of Luminescent Materials and Devices Institute of Polymer Optoelectronic Materials and DevicesSchool of Materials Science and EngineeringSouth China University of TechnologyGuangzhou 510640People's Republic of China School of Materials and Energy Guangdong University of TechnologyGuangzhou 510006People's Republic of China Department of Materials Science State Key Laboratory of Photovoltaic Science and TechnologyFudan University220 Handan RoadShanghai 200433People's Republic of China Materials Genome Institute Shanghai UniversityShangda Rd.99Shanghai 200444People's Republic of China The Institute of Technological Sciences Wuhan UniversityWuhan 430072People's Republic of China College of Chemistry Zhengzhou UniversityZhengzhou 450001People's Republic of China Future Energy Laboratory School of Materials Science and EngineeringHefei University of TechnologyHefei 230009People's Republic of China Center for Excellence in Nanoscience(CAS) Key Laboratory of Nanosystem and Hierarchical Fabrication(CAS)National Center for Nanoscience and TechnologyBeijing 100190People's Republic of China School of Chemical Engineering Center for Antibonding Regulated CrystalsSungkyunkwan UniversitySuwon 16419Republic of Korea State Key Laboratory of Functional Materials and Devices for Special Environmental Conditions Xinjiang Key Laboratory of Electronic Information Materials and Devices Xinjiang Technical Institute of Physics & ChemistryCAS40-1 South Beijing RoadUrumqi 830011People's Republic of China S

Perovskite(PVK)solar cells(PSCs)have garnered considerable research interest owing to their cost-effectiveness and high efficiency.A systematic annual review of the research on PSCs is essential for gaining a comprehensive understanding of the current research ***,systematic analysis of the research papers on PSCs reporting key findings in 2023 was *** on the results,the papers were categorized into six classifications,including regular n-i-p PSCs,inverted p-i-n PSCs,PVK-based tandem solar cells,PVK solar modules,device stability,and lead toxicity and green ***,a detailed overview and summary of the annual research advancements within each classification were ***,this review serves as a valuable resource for guiding future research endeavors in the field of PSCs.

关键词： perovskite solar cells annual review systematic review

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Combined sub-sampling and analytical integration for efficient large-scale GW calculations for 2D systems

arXiv

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arXiv 2020年

作者： Xia, Weiyi Gao, Weiwei Lopez-Candales, Gabriel Wu, Yabei Ren, Wei Zhang, Wenqing Zhang, Peihong Department of Physics University at Buffalo State University of New York BuffaloNY14260 United States Center for Computational Materials Oden Institute for Computational Engineering and Sciences University of Texas at Austin AustinTX78712 United States Department of Physics Shenzhen Institute for Quantum Science & engineering Southern University of Science and Technology Shenzhen Guangdong518055 China Guangdong Provincial Key Lab for Computational Science and Materials Design Shenzhen Municipal Key Lab for Advanced Quantum Materials and Devices Southern University of Science and Technology Shenzhen Guangdong518055 China International Centre for Quantum and Molecular Structures Department of Physics Shanghai University Shanghai200444 China

Accurate and efficient predictions of the quasiparticle properties of complex materials remain a major challenge due to the convergence issue and the unfavorable scaling of the computational cost with respect to the system size. Quasiparticle GW calculations for two dimensional (2D) materials are especially difficult. The unusual analytical behaviors of the dielectric screening and the electron self-energy of 2D materials make the conventional Brillouin zone (BZ) integration approach rather inefficient and require an extremely dense k-grid to properly converge the calculated quasiparticle energies. In this work, we present a combined non-uniform sub-sampling and analytical integration method that can drastically improve the efficiency of the BZ integration in 2D GW calculations. Our work is distinguished from previous work in that, instead of focusing on the intricate dielectric matrix or the screened Coulomb interaction matrix, we exploit the analytical behavior of various terms of the convolved self-energy Σ(q) in the small q limit. This method, when combined with another accelerated GW method that we developed recently, can drastically speed-up (by over three orders of magnitude) GW calculations for 2D materials. Our method allows fully converged GW calculations for complex 2D systems at a fraction of computational cost, facilitating future high throughput screening of the quasiparticle properties of 2D semiconductors for various applications. To demonstrate the capability and performance of our new method, we have carried out fully converged GW calculations for monolayer C2N, a recently discovered 2D material with a large unit cell, and investigate its quasiparticle band structure in detail. Copyright © 2020, The Authors. All rights reserved.

关键词： Monolayers

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Prospects for Power Systems with High Proportion of Renewable Energy Considering the Coordination of Source-grid

引用

Journal of Physics: Conference Series 2021年第1期1993卷

作者： Xu Ling Haiyang Yu Yuan Wang Yaowu Wu Shuhao Liang Zhigang Hu Central China Branch of State Grid Corporation of China Wuhan 430074 China China-EU Institute for Clean and Renewable Energy Huazhong University of Science and Technology Wuhan 430074 China State Key Laboratory of Advanced Electromagnetic Engineering and Technology Huazhong University of Science and Technology Wuhan 430074 China

In the future, the spatiotemporal distribution of a high proportion of renewable energy will bring unprecedented challenges to power system, and the basic form and operation of power system will have great changes. On the basis of investigating the research status in China and abroad, this paper expounds the scientific problems faced by the planning of Power Systems with High Proportion of Renewable Energy (PSHPRE) considering the coordination of source-grid, and put forward the basic ideas and framework of research from four aspects: overview of the development of PSHPRE, power planning in PSHPRE and coordinated planning of source-grid in PSHPRE. Finally, the prospects for Power Systems with High Proportion of Renewable Energy considering the coordination of source-grid are presented.

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Second-order photonic topological insulator with corner states

arXiv

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arXiv 2018年

作者： Xie, Bi-Ye Wang, Hong-Fei Wang, Hai-Xiao Zhu, Xue-Yi Jiang, Jian-Hua Lu, Ming-Hui Chen, Yan-Feng Natl. Laboratory of Solid State Microstructures and Department of Materials Science and Engineering Nanjing University Nanjing210093 China School of Physical Science and Technology Collaborative Innovation Center of Suzhou Nano Science and Technology Soochow University 1 Shizi Street Suzhou215006 China Jiangsu Key Lab. of Articial Functional Materials Nanjing University Nanjing210093 China Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing210093 China

Higher-order topological insulators (HOTIs) which go beyond the description of conventional bulk-boundary correspondence, broaden the understanding of topological insulating phases. Being mainly focused on electronic materials, HOTIs have not been found in photonic crystals yet. Here, we propose a type of two-dimensional second-order photonic crystals with zero-dimensional corner states and one-dimensional boundary states for optical frequencies. All of these states are topolog-ically nontrivial and can be understood based on the theory of topological polarization. Moreover, by tuning the easily-fabricated structure of the photonic crystals, different topological phases can be realized straightforwardly. Our study can be generalized to higher dimensions and provides a platform for higher-order photonic topological insulators and semimetals. Copyright © 2018, The Authors. All rights reserved.

关键词： Electric insulators

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Pressure-induced ideal Weyl semimetal state in the layered antiferromagnet EuCd2As2

arXiv

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arXiv 2022年

作者： Yu, Zhenhai Chen, Xuejiao Xia, Wei Wang, Ningning Lv, Xiaodong Liu, Xiaolei Su, Hao Li, Zhongyang Wu, Desheng Wu, Wei Liu, Ziyi Zhao, Jinggeng Li, Mingtao Li, Shujia Li, Xin Dong, Zhaohui Zhou, Chunyin Zhang, Lili Wang, Xia Yu, Na Zou, Zhiqiang Luo, Jianlin Cheng, Jinguang Wang, Lin Zhong, Zhicheng Guo, Yanfeng School of Physical Science and Technology ShanghaiTech University Shanghai201210 China Center for High Pressure Science and Technology Advanced Research Shanghai201203 China CAS Key Laboratory of Magnetic Materials and Devices Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China ShanghaiTech Laboratory for Topological Physics ShanghaiTech University Shanghai201210 China Beijing National Lab for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing100190 China School of Physics Harbin Institute of Technology Harbin150080 China Shanghai Synchrotron Radiation Facility Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai201204 China Analytical Instrumentation Center School of Physical Science and Technology ShanghaiTech University Shanghai201210 China State Key Laboratory of Metastable Materials Science and Technology Yanshan University Qinhuangdao066004 China

The rich nontrivial topological phases rooted in the interplay between magnetism and topology in the layered antiferromagnet EuCd2As2 have captured vast attention, especially the ideal Weyl semimetal state realized in the spin-polarized ferromagnetic (FM) structure driven by a moderate external magnetic field. In this work, combining high-pressure magnetotransport measurements, structure chracterizations and first principles calculations, we find that application of pressure can also realize the ideal Weyl state in EuCd2As2 through driving the in-plane antiferromagnetic state across an intermediate in-plane FM state then into the out-of-plane FM state. Our high-pressure angle dispersive X-ray diffraction and X-ray absorption near-edge spectroscopy measurements excluded structure transition and/or change of Eu2+ valence state as the sources for the magnetic phase transitions. Alternatively, the apparently reduced axial ratio (c/a) and compressed Eu-layer space distance should play important roles. Our result provides an alternative way to realize the ideal Weyl semimetal state in EuCd2As2 and would be instructive for the exploration of exotic topological properties in such layered magnetic topological phase with strongly competing magnetic exchanges by using high pressure. © 2022, CC BY.

关键词： Topology

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Saxs "Unveils" Porous Anodes for Potassium-Ion Batteries: Dynamic Evolution of Pore Structure in Fe@Fe 2 O 3 /Pcnfs Composite Nanofibers

SSRN

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SSRN 2023年

作者： Shi, Haiting Jinxi, Bao Xianyan, Wu Feng, Tian Shuaitong, Liang Shao, Ruiqi Jingjing, Shi Yingjie, Dong Xu, Zhiwei State Key Laboratory of Separation Membranes and Membrane Processes School of Textile Science and Engineering Tiangong University Tianjin300387 China College of Materials and Textile Engineering Nanotechnology Research Institute Jiaxing University Jiaxing314001 China Shanghai Synchrotron Radiation Facility Zhangjiang Lab Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai201204 China International Joint Laboratory of New Textile Materials and Textiles of Henan Province Zhongyuan University of Technology Zhengzhou450007 China

The porous structure plays a key role in improving the electrochemical performance of composite nanofibers. However, the dynamic evolution of the pore structure and its action during the ion intercalation/extraction process for the negative electrode is not clear. Herein, porous carbon nanofibers composites (Fe@Fe2O3/PCNFs) were prepared as the negative electrode materials for sodium/potassium-ion batteries. Electrochemical test findings revealed that the composites had good electrochemical characteristics, and the porous structure provided more pseudo-capacitive behaviors for the composite electrodes. After 1500 discharge/charge cycles at a current density of 1000 mA g-1, the specific capacities of the potassium-ion and sodium-ion batteries were 144.8 mAh g-1 and 157.8 mAh g-1, respectively. We innovatively used the synchrotron small-angle X-ray scattering (SAXS) technique to systematically investigate the kinetic process of potassium formation in composites and showed that the kinetic process of potassium reaction in composites can be divided into four stages, and the pores with smaller average diameter distribution are more sensitive to the changes of the reaction process. This work provides a new way to study the deposition kinetics of sodium/potassium in porous materials, which facilitates the design of porous structures and realizes the development of alkali metal ion-anode materials with higher energies. © 2023, The Authors. All rights reserved.

关键词： Potassium

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Machine learning aided parameter analysis in Perovskite X-ray Detector

arXiv

引用

arXiv 2024年

作者： Zhang, Bobo Huang, Endai Du, Xinyi Ma, Xiaokang Zhang, Lu You, Jiaxue Jen, Alex K.Y. Liu, Shengzhong Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology Institute for Advanced Energy Materials School of Materials Science and Engineering Shaanxi Normal University Xi’an710119 China Research Institute of Medical and Biological Engineering Ningbo University Zhejiang315211 China Department of Computer Science and Engineering The Chinese University of Hong Kong 999077 Hong Kong Department of Chemical and Biomolecular Engineering National University of Singapore Singapore Singapore National University of Singapore Singapore Singapore State Key Laboratory of Solidification Processing Northwestern Polytechnical University Shaanxi Xi’an710072 China Department of Materials Science and Engineering Hong Kong Institute for Clean Energy City University of Hong Kong 999077 Hong Kong Dalian National Laboratory for Clean Energy iChEM Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian116023 China University of the Chinese Academy of Sciences Beijing100039 China

Many factors in perovskite X-ray detectors, such as crystal lattice and carrier dynamics, determine the final device performance (e.g., sensitivity and detection limit). However, the relationship between these factors remains unknown due to the complexity of the material. In this study, we employ machine learning to reveal the relationship between 15 intrinsic properties of halide perovskite materials and their device performance. We construct a database of X-ray detectors for the training of machine learning. The results show that the band gap is mainly influenced by the atomic number of the B-site metal, and the lattice length parameter b has the greatest impact on the carrier mobility-lifetime product (μτ). An X-ray detector (m-F-PEA)2PbI4 were generated in the experiment and it further verified the accuracy of our ML models. We suggest further study on random forest regression for X-ray detector applications. © 2024, CC BY.

关键词： Machine learning

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Demonstration of a Task-flow based Aircraft Collaborative Design Application in Optical Grid

Demonstration of a Task-flow based Aircraft Collaborative De...

引用

33rd European Conference and Exhibition of Optical Communication

作者： Zhengyu Wang Wei Guo Zhenyu Sun Yaohui Jin Weiqiang Sun Weisheng Hu Xinhua Lin Min-You Wu Hong Liu San Fu Jun Yuan Chunming Qiao State Key Lab on Fiber-Optic Local Area Networks and Advanced Optical Communication systems Shanghai Jiao Tong University P. R. China 200240 Grid Computing Center Shanghai Jiao Tong University China 200240 Institute of Aerospace Science and Technology Shanghai Jiao Tong University China 200240 Shanghai Supercomputer Center Shanghai China 201203 Computer Science & Engineering State University of New York at Buffalo NY 14260 USA

One task-flow scheduler has been designed to optimally allocate resources for a task-flow based Aircraft Collaborative Design Application in Optical Grid. This scheduler and application has been deployed on an Optical... 详细信息

关键词： Computational modeling Atmospheric modeling Numerical models Performance evaluation Optical design Aerodynamics

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