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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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Upper bound of a band complex

arXiv

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arXiv 2023年

作者： Li, Si Zhang, Zeying Feng, Xukun Wu, Weikang Yu, Zhi-Ming Zhao, Y.X. Yao, Yugui Yang, Shengyuan A. School of Physics Northwest University Xi’an710127 China Shaanxi Key Laboratory for Theoretical Physics Frontiers Xi’an710127 China College of Mathematics and Physics Beijing University of Chemical Technology Beijing100029 China Research Laboratory for Quantum Materials Singapore University of Technology and Design Singapore487372 Singapore Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials Ministry of Education Shandong University Jinan250061 China Beijing Key Lab of Nanophotonics & Ultrafine Optoelectronic Systems School of Physics Beijing Institute of Technology Beijing100081 China National Laboratory of Solid State Microstructures Department of Physics Nanjing University Nanjing210093 China Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing210093 China

Band structure for a crystal generally consists of connected components in energy-momentum space, known as band complexes. Here, we explore a fundamental aspect regarding the maximal number of bands that can be accommodated in a single band complex. We show that in principle a band complex can have no finite upper bound for certain space groups. It means infinitely many bands can entangle together, forming a connected pattern stable against symmetry-preserving perturbations. This is demonstrated by our developed inductive construction procedure, through which a given band complex can always be grown into a larger one by gluing a basic building block to it. As a by-product, we demonstrate the existence of arbitrarily large accordion type band structures containing NC = 4n bands, with n ∈ N. Copyright © 2023, The Authors. All rights reserved.

关键词： Band structure

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Novel MOF shell-derived surface modification of Li-rich layered oxide cathode for enhanced lithium storage

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Science Bulletin 2018年第1期63卷 46-53页

作者： Zhitong Xiao Jiashen Meng Qi Li Xuanpeng Wang Meng Huang Ziang Liu Chunhua Han Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and Engineering Wuhan University of Technology Department of Chemistry University of California

Li-rich layered oxide materials have attracted increasing attention because of their high specific capacity(>250 mAh g^(-1)). However, these materials typically suffer from poor cycling stability and low rate performance. Herein, we propose a facile and novel metal-organic-framework(MOF) shell-derived surface modification strategy to construct NiCo nanodots decorated(~5 nm in diameter) carbon-confined Li_(1.2)Mn_(0.54) Ni_(0.13)Co_(0.13)O_2 nanoparticles(LLO@C&NiCo). The MOF shell is firstly formed on the surface of as-prepared Li_(1.2)Mn_(0.54)Ni_(0.13)Co_(0.13)O_2 nanoparticles via low-pressure vapor superassembly and then is in situ converted to the NiCo nanodots decorated carbon shell after subsequent controlled *** obtained LLO@C&NiCo cathode exhibits enhanced cycling and rate capability with a capacity retention of 95% after 100 cycles at 0.4 C and a high capacity of 159 mAh g^(-1) at 5 C, respectively, compared with those of LLO(75% and 105 mAh g^(-1)). The electrochemical impedance spectroscopy and selected area electron diffraction analyses after cycling demonstrate that the thin C&NiCo shell can endow LLO with high electronic conductivity and structural stability, indicating the undesired formation of the spinel phase initiated from the particle surface is efficiently suppressed. Therefore, this presented strategy may open a new avenue on the design of high-performance electrode materials for energy storage.

关键词： Surface modification MOF shell Li-rich layered oxide Lithium-ion battery

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Morphology engineering of atomic layer defect-rich CoSe2 nanosheets for highly selective electrosynthesis of hydrogen peroxide

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Journal of materials Chemistry A 2021年第37期9卷 21340-21346页

作者： Yuan Ji Yundan Liu Bin-Wei Zhang Zhongfei Xu Xiang Qi Xun Xu Long Ren Yi Du Jianxin Zhong Shi Xue Dou Hunan Key Laboratory of Micro-Nano Energy Materials and Devices Laboratory for Quantum Engineering and Micro-Nano Energy Technology and Faculty of Materials and Optoelectronic Physics Xiangtan University Hunan 411105 P. R. China Institute for Superconducting and Electronic Materials (ISEM) University of Wollongong Wollongong NSW 2500 Australia Beijing Computational Science Research Center Beijing China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing and International School of Materials Science and Engineering Wuhan University of Technology Wuhan 430070 China BUAA-UOW Joint Research Centre and School of Physics Beihang University Beijing China

Hydrogen peroxide (H2O2) is widely used as a green oxidant for varying applications. Electrosynthesis is an economical and environmentally-friendly strategy to directly produce H2O2. Its practical production is hinder...

Hydrogen peroxide (H₂O₂) is widely used as a green oxidant for varying applications. Electrosynthesis is an economical and environmentally-friendly strategy to directly produce H₂O₂. Its practical production is hindered, however, by the lack of highly efficient and selective as well as low-cost electrocatalysts. Transition metal chalcogenide materials have been proved to be good catalysts for the oxygen evolution reaction, but their selectivity towards conversion of O₂ to H₂O₂ remains unsatisfactory. In this work, 3 atomic-layer defect-rich CoSe₂ nanosheets have been successfully grown on carbon cloth as a high performance electrocatalyst. The morphology of CoSe₂ can be tuned by regulating the wettability of the growth substrate. The atomic-layer CoSe₂ nanosheets showed unprecedented 92% selectivity towards H₂O₂ production in alkaline solutions, and the yields of H₂O₂ in alkaline and acidic solutions were 1227.7 mg L⁻¹ h⁻¹ and 894 mg L⁻¹ h⁻¹, respectively. The high efficiency and selectivity originate from the rich defects in the atomic-layer CoSe₂ nanosheets, which can accelerate the adsorption of OOH by the exposed Co defect sites.

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Magnetic Fe3O4@mTiO2-AIPA Microspheres for Separation of Phosphoproteins and Non-phosphoproteins

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Journal of Wuhan University of technology(materials Science) 2019年第3期34卷 752-759页

作者： TANG Qiuhan LU Qi QING Guangyan School of Chemistry Chemical Engineering and LifeScienceWuhan University of TechnologyWuhan430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China Research &Development Center Jushi Group Co.UdTongxiang314500China

A novel phosphoprotein separation material was developed, which is constructed by a magnetic mesoporous Fe3 O4@TiO2（Fe3 O4@mTiO2） microsphere and a 5-aminoisophthalic acid（AIPA） monolayer that provides additional binding sites toward phosphate groups. The results of characteristic experiments demonstrated that Fe3 O4@mTiO2-AIPA had good dispersability, high magnetic susceptibility, and satisfactory grafting ratio of AIPA, ascribed to the large specific surface area of the inorganic substrate. Taking advantages of these features, Fe3 O4@mTiO2-AIPA was successfully utilized to separate α-casein（a typical phosphoprotein） and bovine serum albumin（BSA, a typical non-phosphoprotein） from their mixtures（molar ratio = 1:2）. Through adjusting pH and polarity of solutions, the BSA and α-casein were respectively enriched in washing fraction and elution fraction. This result displays the good potential of Fe3 O4@mTiO2-AIPA for application in phosphoprotein enrichment.

关键词： magnetic microsphere phosphoprotein separation α-casein

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Confining Conversion Chemistry in Intercalation Host for Aqueous Batteries

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Angewandte Chemie 2024年第38期136卷

作者： Qiuyue Gui Wenjun Cui Deliang Ba Prof. Xiahan Sang Prof. Yuanyuan Li Jinping Liu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing and School of Chemistry Chemical Engineering and Life Science Wuhan University of Technology Wuhan Hubei 430070 China Nanostructure Research Center Wuhan University of Technology Wuhan Hubei 430070 China School of Integrated Circuits Huazhong University of Science and Technology Wuhan Hubei 430074 China

Conversion-type anode materials with high theoretical capacities play a pivotal role in developing future aqueous rechargeable batteries (ARBs). However, their sustainable applications have long been impeded by the poor cycling stability and sluggish redox kinetics. Here we show that confining conversion chemistry in intercalation host could overcome the above challenges. Using sodium titanates as a model intercalation host, an integrated layered anode material of iron oxide hydroxide-pillared titanate (FeNTO) is demonstrated. The conversion reaction is spatially and kinetically confined within sub-nano interlayer, enabling superlow redox polarization (ca. 4–6 times reduced), ultralong lifespan (up to 8700 cycles) and excellent rate performance. Notably, the charge compensation of interlayer via universal cation intercalation into host endows FeNTO with the capability of operating well in a broad range of aqueous electrolytes (Li + , Na + , K + , Mg 2+ , Ca 2+ , etc.). We further demonstrate the large-scale synthesis of FeNTO thin film and powder, and rational design of quasi-solid-state high-voltage ARB pouch cells powering wearable electronics against extreme mechanical abuse. This work demonstrates a powerful confinement means to access disruptive electrode materials for next-generation energy devices.

关键词： conversion chemistry intercalation host sub-nano confinement aqueous rechargeable batteries wearable pouch cell

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Electric-Dipole Coupling Ion-Dipole Engineering Induced Rational Solvation-Desolvation Behavior for Constructing Stable Solid-state Lithium Metal Batteries

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Angewandte Chemie 2025年

作者： Feng Tao Kaijian Yan Chenxu Dong Jiajing Wang Qianmu Pan Minjian Gong Jiapei Gu Chunli Shen Ruohan Yu Yuanzhi Jiang Mingjian Yuan Cheng Zhou Meng Huang Xu Xu Liqiang Mai Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000 P.R. China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan Hubei 430070 P.R. China State Key Laboratory of Advanced Chemical Power Sources Frontiers Science Center for New Organic Matter Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) College of Chemistry Nankai University Tianjin 300071 P.R. China Hubei Longzhong Laboratory Wuhan University of Technology (Xiangyang Demonstration Zone) Xiangyang Hubei 441000 China

Solid-state polymer electrolytes (SPEs) with high ionic conductivity, a wide voltage window, and an ultrastability electrolyte/electrode interface are essential for practical applications of solid lithium-metal batteries but particularly challenging. The key to overcoming these long-term obstacles lies in the rational design of the Li + solvation-desolvation behavior in SPEs. Herein, we propose an electric-dipole coupling ion-dipole strategy to modulate the Li + solvation structure and enhance Li + desolvation kinetics. The experimental characterizations and theoretical calculations indicate that the free solvents and FSI − are anchored by ion–dipole interactions, which facilitate the transfer of Li + and obtain a wide electrochemical stability window. Coupling the electric-dipole interactions that promote lithium salt dissociation and rapid ion desolvation contributes to obtaining more mobile Li + and realizing an inorganic-rich electrolyte/electrode interface. Benefiting from the above benefits, the assembled lithium symmetric cells and the full cells demonstrate ultralong cycling life. More importantly, full cells with high-loading cathodes (LiFePO 4 with 11.25 mg cm −2 , NCM811 with 7.84 mg cm −2 ) and pouch cell still display stable cycling. This research gives valuable insights into regulating the solvation-desolvation behavior in SPEs and facilitates the development of state-of-the-art Li metal batteries.

关键词： Electric-dipole Ion-dipole Residual Solvent Solid-state Lithium Metal Batteries Solvation-desolvation Behavior

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Bio-based materials for sustainable energy harvesting: Applications in TENGs, PENGs, and solar-powered seawater desalination systems

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Chemical Engineering Journal 2025年 516卷

作者： Ding, Yutong Deng, Linbing Liu, Xiao-Xiao Wang, Lili Meng, Yanrong Ouyang, Mi Chen, Feng Huang, Zhao-Xia Kuang, Tairong Lab State Key Laboratory of Advanced Separation Membrane Materials Zhejiang Key Laboratory of Advanced Polymer Materials Modification and Application Technology College of Materials Science and Engineering Zhejiang University of Technology Hangzhou310014 China National Engineering Research Center of Novel Equipment for Polymer Processing Key Laboratory of Polymer Processing Engineering Ministry of Education Guangdong Provincial Key Laboratory of Technique and Equipment for Macromolecular Advanced Manufacturing Department of Mechanical and Automotive Engineering South China University of Technology Guangzhou510641 China School of Advanced Manufacturing Technology Guangdong Mechanical & Electrical Polytechnic Guangzhou510550 China Department of General Medicine First Medical Center of Chinese PLA General Hospital Beijing100039 China

The global energy crisis has intensified the need for sustainable energy solutions, yet conventional energy production still relies on non-renewable, environmentally damaging materials. Although significant advances have been made in green energy technologies, a critical gap remains in the development of materials that are both renewable and environmentally friendly. Bio-based materials, derived from renewable resources, offer a timely and sustainable alternative that can significantly improve the efficiency, functionality, and environmental compatibility of energy conversion devices. This review highlights the role of bio-based materials in addressing these challenges, focusing on their applications in emerging green energy technologies, particularly triboelectric nanogenerators (TENGs), piezoelectric nanogenerators (PENGs), and solar-powered seawater desalination systems. It provides a comprehensive overview of the latest advances in preparation methods, material properties, and their practical applications in energy conversion systems. By discussing the unique advantages and material selection challenges, this review underscores the importance of bio-based materials in the continued development of sustainable, high-performance energy harvesting devices. Furthermore, it emphasizes their potential to contribute to global sustainability goals, offering a critical pathway to more eco-friendly and cost-effective energy solutions. © 2025 Elsevier B.V.

关键词： Solar power generation

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Tungsten Phosphide on Nitrogen and Phosphorus-Doped Carbon as a Functional Membrane Coating Enabling Robust Lithium-Sulfur Batteries

SSRN

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SSRN 2024年

作者： Li, Canhuang Yu, Jing Zhang, Chaoqi Wang, Jian Yang, Dawei Xiao, Ke Li, Hao Huang, Chen Cheng, Yapeng Ren, Yuchuan Qi, Xuede Yang, Tianxiang Li, Junshan Wang, Jiaao Henkelman, Graeme Arbiol, Jordi Nan, Junmin Cabot, Andreu Catalonia Institute for Energy Research-IREC Sant Adrià de Besòs Barcelona08930 Spain Department of Chemistry Universitat de Barcelona Barcelona08028 Spain College of Materials Science and Engineering Fuzhou University No.2 Xueyuan Road Minhou County Fujian Province Fuzhou City350108 China Department of Electronic and Biomedical Engineering Universitat de Barcelona Barcelona08028 Spain UlmD89081 Germany Henan Province Key Laboratory of Photovoltaic Materials School of Future Technology Henan University Kaifeng475004 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology China Chongqing University of Technology China CSIC and BIST Campus UAB Bellaterra Barcelona Catalonia08193 Spain School of Environmental Engineering and Chemistry Luoyang Institute of Science and Technology Henan Luoyang471023 China Institute for Advanced Study Chengdu University Chengdu610106 China Department of Chemistry The Oden Institute for Computational Engineering and Sciences The University of Texas at Austin AustinTX78712-0165 United States School of Chemistry South China Normal University Guangzhou510006 China ICREA Pg. Lluis Companys Barcelona Catalonia08010 Spain

Lithium-sulfur batteries (LSBs) hold great potential as future energy storage technology, but their widespread application is hampered by the slow polysulfide conversion kinetics and the sulfur loss during cycling. In this study, we detail a one-step approach to growing tungsten phosphide (WP) nanoparticles on the surface of nitrogen and phosphorus co-doped carbon nanosheets (WP@NPC). We further demonstrate that this material provides outstanding performance as a multifunctional separator in LSBs, enabling higher sulfur utilization and exceptional rate performance. These excellent properties are associated with the abundance of lithium polysulfide (LiPS) adsorption and catalytic conversion sites and rapid ion transport capabilities. Experimental data and density functional theory calculations demonstrate tungsten to have a sulfophilic character while nitrogen and phosphorus provide lithiophilic sites that prevent the loss of LiPSs. Furthermore, WP regulates the LiPS catalytic conversion, accelerating the Li-S redox kinetics. As a result, LSBs containing a polypropylene separator coated with a WP@NPC layer show capacities close to 1500 mAh g-1 at 0.1C and coulombic efficiencies above 99.5% at 3C. Batteries with high sulfur loading, 4.9 mg cm−2, are further produced to validate their superior cycling stability. This work demonstrates the use of multifunctional separators as an effective strategy to promote LSB performance. © 2024, The Authors. All rights reserved.

关键词： Polysulfides

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Ultrafast Carrier Dynamics and Terahertz Photoconductivity of Mixed-Cation and Lead Mixed-Halide Hybrid Perovskites

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Chinese Physics Letters 2019年第2期36卷 83-91页

作者： Wan-Ying Zhao Zhi-Liang Ku Li-Ping Lv Xian Lin Yong Peng Zuan-Ming Jin Guo-Hong Ma Jian-Quan Yao Department of Physics Shanghai University State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Department of Chemical Engineering School of Environmental and Chemical EngineeringShanghai University STU & SIOM Joint Laboratory for Superintense Lasers and Applications College of Precision Instrument and Opto-electronics Engineering Institute of Laser and Opto-electronicsTianjin University

Using time-dependent terahertz spectroscopy, we investigate the role of mixed-cation and mixed-halide on the ultrafast photoconductivity dynamics of two different methylammonium(MA) lead-iodide perovskite thin films. It is found that the dynamics of conductivity after photoexcitation reveals significant correlation on the microscopy crystalline features of the samples. Our results show that mixed-cation and lead mixed-halide affect the charge carrier dynamics of the lead-iodide perovskites. In the(5-AVA)_(0.05)(MA)_(0.95) PbI_(2.95) Cl_(0.05)/spiro thin film, we observe a much weaker saturation trend of the initial photoconductivity with high excitation fluence, which is attributed to the combined effect of sequential charge carrier generation, transfer, cooling and polaron formation.

关键词： Ultrafast Carrier Dynamics Terahertz Photoconductivity Mixed-Cation Lead Mixed-Halide Hybrid Perovskites

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