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Be2C5 Monolayer with Quasiplanar Pentacoordinate Carbon Atoms and Ultrahigh Energy Density as a Dirac Anode for Potassium-Ion Batteries

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PRX Energy 2023年第3期2卷 033012-033012页

作者： Feilong Wang Meiling Xu Shuyi Lin Jian Hao Yanchao Wang Hong Jian Zhao Yinwei Li Laboratory of Quantum Functional Materials Design and Application School of Physics and Electronic Engineering Jiangsu Normal University Xuzhou 221116 China International Center for Computational Method and Software State Key Laboratory of Superhard Materials Key Laboratory of Physics and Technology for Advanced Batteries Ministry of Education College of Physics Jilin University Changchun 130012 China

K-ion batteries (KIBs) are of potential importance in the future energy industries. Recent efforts were committed to increasing the energy storage density in KIBs. Here, we search for anode materials with high energy density that are compatible with KIBs, by a combination of the swarm-intelligence structure search method and first-principles calculations. We predict the Be2C5 monolayer to be a kind of material that showcases ultrahigh energy density (∼5455 mWh/g, referenced to the standard hydrogen electrode potential), thanks to an exceptional specific capacity of 2060 mAh/g and low average open-circuit voltage of 0.28 V. This energy density value is much larger than that of most currently known 2D KIB-based anode materials. Furthermore, the Be2C5 anode presents other intriguing behavior, such as (i) the fast diffusion of K ions, as suggested by an ultralow barrier energy of about 0.074 eV; (ii) excellent mechanical strength, with a Young’s modulus of about 243 N/m; (iii) robust compatibility with electrolytes; (iv) small-scale volume expansion of 0.68% during the process of potassiation; and (v) a unique “self-doping” effect, which is beneficial for high electronic conductivity.

关键词： Lithium-alternative batteries 2-dimensional systems First-principles calculations

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Inside Back Cover: Organocatalytic Lithium Chloride Oxidation by Covalent Organic Frameworks for Rechargeable Lithium-Chlorine Batteries (Angew. Chem. Int. Ed. 7/2024)

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Angewandte Chemie International Edition 2024年第7期63卷

作者： Dr. Yan Xu Mingming Wang Muhammad Sajid Yahan Meng Zehui Xie Lidong Sun Prof. Jian Jin Prof. Wei Chen Dr. Shenxiang Zhang College of Energy Soochow Institute for Energy and Materials Innovations Light Industry Institute of Electrochemical Power Sources Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu Province Soochow University Suzhou Jiangsu 215006 China Department of Applied Chemistry School of Chemistry and Materials Science Hefei National Research Center for Physical Sciences at the Microscale University of Science and Technology of China Hefei Anhui 230026 China College of Chemistry Chemical Engineering and Materials Science Jiangsu Key Laboratory of Advanced Functional Polymer Design and Application Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow University Suzhou Jiangsu 215123 China

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Planar Vis-NIR photodetectors based on organic-inorganic hybrid perovskite single crystal bulks

Planar Vis-NIR photodetectors based on organic-inorganic hyb...

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第七届新型太阳能电池材料科学与技术学术研讨会

作者： Juan Xin Jinhua Li Hairen Wang Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials Key Laboratory for the Green Preparation and Application of Functional MaterialsMinistry of EducationHubei Key Laboratory of Polymer MaterialsSchool of Materials Science and EngineeringHubei University

Single crystals of methylammonium lead trihalide perovskites have been widely applied in the research of next-generation photodetectors due to their remarkable light-harvesting properties,low trap density,and good carrier transport ***,the presented work demonstrates the high-quality and millimeter-scale single crystals CHNHPbBr and CHNHPbI perovskite-based planar photodetectors modified by ITC *** highest photoresponsivity of CHNHPbBr photodetector can reach ～111 A/W under the visible illumination of 520 nm light and the highest photoresponsivity of CHNHPbI photodetector can reach ～568 A/W under the infrared illumination of 895 nm *** photodetectors also demonstrate the high on/off ratio（80 %） and fast response *** implies that CHNHPbBr and CHNHPbI single crystals based photodetectors reveal great attention for the application of the Vis-NIR photodetection.

关键词： CH3NH3PbBr3 CH3NH3PbI3 single crystals planar photodetectors

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Innenrücktitelbild: Organocatalytic Lithium Chloride Oxidation by Covalent Organic Frameworks for Rechargeable Lithium-Chlorine Batteries (Angew. Chem. 7/2024)

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Angewandte Chemie 2024年第7期136卷

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Flexible and high-efficiency planar carbon-based perovskite solar cells without hole transport materials

Flexible and high-efficiency planar carbon-based perovskite ...

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第七届新型太阳能电池材料科学与技术学术研讨会

作者： Junjun Jin Jinhua Li Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials Key Laboratory for the Green Preparation and Application of Functional MaterialsMinistry of EducationHubei Key Laboratory of Polymer MaterialsSchool of Materials Science and EngineeringHubei University

Carbon electrode-based perovskite solar cells without hole-transport-layer are recognized wide attention due to low cost,simple and long-time stability as a competitive candidate towards future practical ***,this type of perovskite solar cell still remain the huge challenge of the fully low-temperature preparation to fabricate flexible ***,the all carbon electrode-based flexible perovskite solar cells with the structure of PET/ITO/SnO/CHNHPbI/Carbon are successfully prepared by low-temperature solution ***（HO） is added into the perovskite precursor solution to retard the nucleation and obtain effectively form compact perovskite *** implementation of HO enables the fabrication of counterparts perovskite solar devices with an efficiency of 15.09 % on rigid substrate（ITO/glass）,and the flexible perovskite solar cells have an efficiency of 11.11 %.This devices also exhibit good long-term *** present study can provide a simple way to fabricate low cost,highly efficient and highly stable perovskite solar cells for various applications.

关键词： flexible perovskite solar cells carbon electrode hole transport material free

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Low-temperature processed ZnO as electron transport layer for all-inorganic perovskite solar cells

Low-temperature processed ZnO as electron transport layer fo...

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第七届新型太阳能电池材料科学与技术学术研讨会

作者： Wenqiu Deng Jinhua Li Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials Key Laboratory for the Green Preparation and Application of Functional MaterialsMinistry of EducationHubei Key Laboratory of Polymer MaterialsSchool of Materials Science and EngineeringHubei University

All inorganic perovskite materials have attracted tremendous attention due to their intrinsic thermal ***-phased cesium lead triiodide（γ-CsPbI） inorganic perovskite is one of the most desirable candidates which could be solution-processed for highly efficient perovskite solar cells（PSCs）.The electron transport layer（ETL） plays crucial roles of electron extraction/transport and hole blocking in the *** oxide（ZnO） with superior electron mobility and suitable energy level is an ideal electron transport material but inorganic PSCs adopt ZnO as ETL are barely *** this work,we present low-temperature processed ZnO as an ETL in all inorganic γ-CsPbI based *** interesting phenomena that the transition temperature of γ-CsPbI formation on ZnO based substrate decreased were observed and *** well matched lattices of ZnO and CsPbI as well as nonexistent deprotonation which occurs in MAPbI based PSCs indicate ZnO can be an ideal material for all-inorganic *** champion device based on ZnO obtained a power conversion efficiency of 12.22% with a high open circuit voltage of 1.14 V,attributed to the well energy level match and surface *** work shows the potential of ZnO as promising ETL in all inorganic PSCs.

关键词： perovskite solar cells cesium lead triiodide zinc oxide electron transport layer

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Coherence enhancement via a diamond-graphene hybrid for nanoscale quantum sensing

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National Science Review 2025年第5期 99-105页

作者： Yucheng Hao Zhiping Yang Zeyu Li Xi Kong Wenna Tang Tianyu Xie Shaoyi Xu Xiangyu Ye Pei Yu Pengfei Wang Ya Wang Zhenhua Qiao Libo Gao Jian-Hua Jiang Fazhan Shi Jiangfeng Du CAS Key Laboratory of Microscale Magnetic Resonance and School of Physical Sciences University of Science and Technology of China CAS Center for Excellence in Quantum Information and Quantum Physics University of Science and Technology of China School of Biomedical Engineering and Suzhou Institute for Advanced Research University of Science and Technology of China CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics and Department of Physics University of Science and Technology of China The International Center for Quantum Design of Functional Materials University of Science and Technology of China National Laboratory of Solid State Microstructures and Department of Physics Nanjing University Hefei National Laboratory University of Science and Technology of China School of Physical Science and Technology &Collaborative Innovation Center of Suzhou Nano Science and Technology Soochow University Anhui Province Key Laboratory of Scientific Instrument Development and Application University of Science and Technology of China Institute of Quantum Sensing and School of Physics Zhejiang University

Quantum coherence serves as a crucial quantum resource for achieving high-sensitivity quantum *** of its long coherence time at room temperature, the nitrogen-vacancy(NV) center has emerged as a quantum sensor in various fields in recent years. While nanoscale quantum sensing at room temperature has been demonstrated for NV centers, noise on the diamond surface severely limits its further development at a higher sensitivity. Here, we utilize the hybridization between graphene and diamond surfaces to directly deplete surface unpaired electron spins, thereby achieving roughly two-fold enhancement in *** the combination of electron spin resonance spectra and first-principle calculations, we explain that this phenomenon arises from a significant reduction in electron spin density on the diamond surface due to interface electron orbital hybridization. Our research presents a new approach for solid-state quantum sensors to reach the desired sensitivity level and offers a new pathway for future studies on material interfaces.

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A Chiral COFs Membrane for Enantioselective Amino Acid Separation

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Angewandte Chemie 2024年第5期137卷

作者： Narmadha Manoranjan Wangxi Fang Yuzhang Zhu Prof. Dr. Jian Jin i-Lab Suzhou Institute of Nano-Tech and Nano-Bionics Chinese Academy of Sciences Suzhou 215123 P.R. China College of Chemistry Chemical Engineering and Materials Science Jiangsu Key Laboratory of Advanced Functional Polymer Materials & Suzhou key Laboratory of Macromolecular Design and Precision Synthesis Soochow University Suzhou 215123 P.R. China

Incorporating chiral molecules in the covalent organic frameworks (COFs) with uniformly ordered pores results in chiral COFs, which have been highly promising candidates for enantioseparation. Herein, a homochiral COF nanochannel membrane is reported by introducing chiral centers (L-phenylalanine methyl ester) into one of the organic ligands for the enantioseparation of chiral amino acids. The separation results show that the D-isomer is preferentially transported through the porous membrane channel. This composite membrane exhibits excellent selectivity for racemic phenylalanine with the highest enantiomeric excess value of up to 99.4 %. The adsorption and molecular modeling studies substantiate the experiment results by showing higher bonding affinity towards D-isomer over L-isomer. The excellent enantioselective gating performance unveils the porous COF skeleton with chiral selectors and the size-matching synergy for stereoselective interactions with chiral isomers.

关键词： chiral separation composite membrane covalent organic framework homochiral membrane membrane chromatography

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Boron kagome-layer induced intrinsic superconductivity in a MnB3 monolayer with a high critical temperature

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Physical Review B 2020年第7期102卷 075431-075431页

作者： Ziyang Qu Fanjunjie Han Tong Yu Meiling Xu Yinwei Li Guochun Yang Laboratory of Quantum Materials Design and Application School of Physics and Electronic Engineering Jiangsu Normal University Xuzhou 221116 China Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education Northeast Normal University Changchun 130024 China

The design of two-dimensional superconductors has attracted great research interest owing to their wide application in nanoscale devices. Here, we combine first-principles calculations with structure searching technology to identify a unique stable hexagonal h−MnB3 monolayer, exhibiting a slightly higher energy with respect to the reported tetragonal t−MnB3. Interestingly, h−MnB3 contains two boron kagome layers sandwiched with Mn atoms. It exhibits metallic properties and has a superconducting transition temperature of 24.9 K, which is much higher than 2.9 K in t−MnB3. Its superconductivity mainly originates from the coupling between in-plane vibrational phonons of boron kagome layers and electrons of Mn atoms. h−MnB3 exhibits a tunable superconductivity, and reaches a maximum of 34 K at 2% tensile strain resulting from the softening in-plane modes of boron kagome layers. The Si (111) surface may be an ideal substrate for the growth of superconductive h−MnB3. The unique superconducting mechanism observed here could inspire the searching of more boron kagome based two-dimensional superconductors.

关键词： First-principles calculations Superconductors 2-dimensional systems Kagome lattice Two-dimensional electron system

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Self-Assembled Growth of Surface-Fluorinated Tio2 Nanocrystal Films with Superior Dual-Band Electrochromic and Energy Storage Performance

SSRN

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SSRN 2022年

作者： Cai, Jingyi Zhang, Yong Tao, Xinyu Yao, Shangzhi Cui, Jiewu Wang, Yan Liu, Jiaqin Sun, Xiangcheng Xie, Ting Wu, Yucheng School of Materials Science and Engineering Hefei University of Technology Anhui Hefei230009 China Key Laboratory of Advanced Functional Materials and Devices of Anhui Province Hefei230009 China Engineering Research Center of Advanced Composite Materials Design & Application of Anhui Province Instrumental Analysis Center Hefei University of Technology Hefei230009 China Institute of Industry & Equipment Technology Hefei University of Technology Anhui Hefei230009 China China International S&T Cooperation Base for Advanced Energy and Environmental Materials Anhui Hefei230009 China Institute of Science and Technology Yantai Nanshan University Shandong Longkou265700 China

Surface-fluorinated TiO 2 nanocrystal (NC) films were obtained on the FTO substrate by a one-pot solvothermal reaction. The fluorine anions played a critical role in generating oxygen vacancies, triggering the self-assembly of the NCs to form porous structure as well as modulating the NC size. While pristine TiO 2 films showed simultaneous electrochromic regulation in the near-infrared and visible regions under electrochemical bias, surface-fluorinated TiO 2 films demonstrated selective and independent modulation in the two regions showing high optical modulation (77.5% at 700 nm and 62.5% at 1300 nm), unprecedentedly fast electrochromic response (coloring time:12.8 s at 700 nm and 10.2 s at 1300 nm;bleaching time: 4.3 s at 700 nm and 4.8 at 1300 nm), and superior cycling stability. The films also exhibited three typical energy efficient working modes and promising energy storage characteristics. Effect of the oxygen vacancy was investigated which was of importance to realize NIR selective modulation and the electrochromic reaction kinetics was scrutinized. This work may provide an alternative approach for designing high performance. TiO 2 -based single-component dual-band energy efficient electrochromic devices. © 2022, The Authors. All rights reserved.

关键词： Titanium dioxide

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