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Chemical Composition-Driven Machine Learning Models for Predicting Ionic Conductivity in Lithium-Containing Oxides

Electrochemistry 2025年第6期93卷

作者： Iwamizu, Yudai Suzuki, Kota Kamiya, Michiyo Matsui, Naoki Nomoto, Kuniharu Hori, Satoshi Hirayama, Masaaki Kanno, Ryoji Department of Chemical Science and Engineering School of Materials and Chemical Technology Tokyo Institute of Technology 4259 Nagatsuta-cho Midori Yokohama226-8502 Japan Research Center for All-Solid-State Battery Institute of Integrated Research Institute of Science Tokyo 4259 Nagatsuta-cho Midori Yokohama226-8501 Japan Department of Chemical Science and Engineering School of Materials and Chemical Technology Institute of Science Tokyo 4259 Nagatsuta-cho Midori Kanagawa Yokohama226-8501 Japan

A machine learning model that can predict the ionic conductivity of lithium-containing oxides using chemical composition and ionic conductivity data was previously developed. However, this model revealed several limitations, leading to less-than-ideal prediction accuracy. Thus, new models demonstrating improved prediction ability must be developed. This study presents the development of machine learning models for the accurate prediction of ionic conductivity in lithium-containing materials based solely on their chemical composition. The models constructed using the NGBoost and LightGBM algorithms show high compatibility with the training and test data, resulting in high predictive accuracy. The constructed models identify "entropy," which is considered a key factor in developing ionic conductors, as an important feature. This finding highlights the potential utility of this property from a solid-state chemistry perspective. The developed models demonstrate high predictive accuracy even for previously reported lithium superionic conductor-type materials that were not included in the training dataset. The established models are expected to facilitate efficient material discovery for the development of all-solid-state lithium batteries. © The Author(s) 2025.

关键词： Lithium-ion batteries

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Electronic structure of correlated topological insulator candidate YbB6 studied by photoemission and quantum oscillation

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Chinese Physics B 2020年第1期29卷 70-75页

作者： T Zhang G Li S C Sun N Qin L Kang S H Yao H M Weng S K Mo L Li Z K Liu L X Yang Y L Chen State Key Laboratory of Low Dimensional Quantum Physics Department of PhysicsTsinghua UniversityBeijing 100084China Department of Physics University of MichiganAnn ArborMI 48109USA Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of SciencesBeijing 100190China National Laboratory of Solid State Microstructures&Department of Materials Science and Engineering Nanjing UniversityNanjing 210093China Collaborative Innovation Center of Quantum Matter BeijingChina Songshan Lake Materials Laboratory Dongguan 523808China CAS Center for Excellence in Topological Quantum Computation Beijing 100190China Physical Science Laboratory Huairou National Comprehensive Science CenterBeijing 101400China Advanced Light Source Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA School of Physical Science and Technology ShanghaiTech University and CAS-Shanghai Science Research CenterShanghai 201210China ShanghaiTech Laboratory for Topological Physics Shanghai 200031China Frontier Science Center for Quantum Information Beijing 100084China Department of Physics Clarendon LaboratoryUniversity of Oxford Parks RoadOxford OX13PUUK

Angle-resolved photoemission spectroscopy(ARPES)and torque magnetometry(TM)measurements have been carried out to study the electronic structures of a correlated topological insulator(TI)candidate Yb *** observed clear surface states on the[001]surface centered at theГ^- and М^- points of the surface Brillouin ***,the fermiology revealed by the quantum oscillation of TM measurements agrees excellently with ARPES ***,the band structures we observed suggest that the band inversion in Yb B6 happens between the Yb5 dand B2bands,instead of the Yb5dand Yb4fbands as suggested by previous theoretical investigation,which will help settle the heavy debate regarding the topological nature of samarium/ytterbium hexaborides.

关键词： topological insulator electronic structure surface states

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Nanostructure-gated organic electrochemical transistors for accurate glucose monitoring in dynamic biological pH conditions

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Biosensors and Bioelectronics 2025年 287卷 117677页

作者： Ke Meng Jia Zhu Tianyao Zhang Xianzhe Zhang Yingying Zhang Xiangjie Chen Fan Li Yao Tong Senhao Zhang Donghai Qiu Hongbo Yang Shangbin Liu Lan Yin Rui Zhao Libin Huang Tao Li Min Gao Taisong Pan Jian Yang Huanyu Cheng Yuan Lin School of Materials and Energy University of Electronic Science and Technology of China Chengdu 610054 China Yangtze Delta Region Institute (Quzhou) University of Electronics Science and Technology of China Quzhou 324000 China Department of Engineering Science and Mechanics The Pennsylvania State University University Park PA 16802 USA Suzhou Institute of Biomedical Engineering and Technology Chinese Academy of Science Suzhou 215011 China School of Materials Science and Engineering Tsinghua University Beijing 100084 China Department of Gastroenterology West China Hospital Sichuan University Chengdu 610041 China Research Center for Industries of the Future Biomedical Engineering Program School of Engineering Westlake University Hangzhou Zhejiang 310030 China Medico-Engineering Cooperation on Applied Medicine Research Center University of Electronics Science and Technology of China Chengdu 610054 China

Non-invasive, real-time, and continuous monitoring of trace amounts of glucose in near-neutral biofluids is significant for the daily care and treatment of diabetic patients or people with suboptimal health status. Despite improved sensing performance with novel low-dimensional materials or porous structures in various enzymatic and non-enzymatic electrochemical glucose sensors, they still suffer from high cost, poor long-term stability, and performance fluctuations in varied temperature and pH. This work synergistically combines an Au-modified porous laser-induced graphene (LIG) gate electrode with an organic electrochemical transistor (OECT) to create a flexible non-enzymatic glucose sensor. The resulting OECT-based non-enzymatic glucose sensor exhibits significantly enhanced sensitivity in near-neutral biofluids, the limit of detection (LOD) (0.08 μM in pH = 7.4), excellent stability over time (degradation of ∼10 % in 180 days) and against temperature changes (30 °C–40 °C), self-pH calibration capabilities, and uncompromised sensing performance with shrinking sizes. The highly consistent laser patterning technique and in situ galvanic reduction process for electrode modifications not only provide a simple yet versatile approach to creating low-cost, compact sensing platforms for precise and real-time sweat glucose measurements but also support scalable production, allowing the correlation study of key biomarkers in sweat and blood.

关键词： Laser-induced graphene nanocomposite Long-term stability Non-enzymatic glucose sensor Organic electrochemical transistor Self-pH calibration

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DNA tetrahedron-mediated immune-sandwich assay for rapid and sensitive detection of PSA through a microfluidic electrochemical detection system

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Microsystems & Nanoengineering 2021年第2期7卷 221-230页

作者： Dezhi Feng Jing Su Yi Xu Guifang He Chenguang Wang Xiao Wang Tingrui Pan Xianting Ding Xianqiang Mi Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information TechnologyChinese Academy of Sciences200050ShanghaiChina Shanghai Advanced Research Institute Chinese Academy of Sciences201210ShanghaiChina University of Chinese Academy of Sciences 100049BeijingChina State Key Laboratory of Oncogenes and Related Genes Institute for Personalized MedicineSchool of Biomedical EngineeringShanghai Jiao Tong University200030ShanghaiChina School of Life Sciences Shanghai University200444ShanghaiChina Shenzhen Institutes of Advanced Technology Chinese Academy of Science518055ShenzhenChina CAS Center for Excellence in Superconducting Electronics (CENSE)200050ShanghaiChina Key Laboratory of Systems Health Science of Zhejiang Province Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesChinese Academy of Sciences310024HangzhouChina

Prostate-specific antigen(PSA)is the most widely used biomarker for the early diagnosis of prostate *** methods for PSA detection are burdened with some limitations and require ***,we developed a novel microfluidic–electrochemical(μFEC)detection system for PSA ***,we constructed an electrochemical biosensor based on screen-printed electrodes(SPEs)with modification of gold nanoflowers(Au NFs)and DNA tetrahedron structural probes(TSPs),which showed great detection ***,we fabricated microfluidic chips by DNA TSP-Au NF-modified SPEs and a PDMS layer with designed dense meandering ***,theμFEC detection system was achieved based on microfluidic chips integrated with the liquid automatic conveying unit and electrochemical detection ***μFEC system we developed acquired great detection performance for PSA detection in PBS *** PSA assays in spiked serum samples of theμFEC system,we obtained a linear dynamic range of 1–100 ng/mL with a limit of detection of 0.2 ng/mL and a total reaction time<25 *** serum samples of prostate cancer patients presented a strong correlation between the“gold-standard”chemiluminescence assays and theμFEC *** terms of operation procedure,cost,and reaction time,our method was superior to the current methods for PSA detection and shows great potential for practical clinical application in the future.

关键词： fluid diagnosis system

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Observation of Acoustic Skyrmions

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Physical Review Letters 2021年第14期127卷 144502-144502页

作者： Hao Ge Xiang-Yuan Xu Le Liu Rui Xu Zhi-Kang Lin Si-Yuan Yu Ming Bao Jian-Hua Jiang Ming-Hui Lu Yan-Feng Chen National Laboratory of Solid State Microstructures & Department of Materials Science and Engineering Nanjing University Nanjing Jiangsu 210093 China Key Laboratory of Noise and Vibration Research Institute of Acoustics Chinese Academy of Sciences Beijing 100190 China School of Physical Science and Technology Soochow University Suzhou 215006 China Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing 210093 China Jiangsu Key Laboratory of Artificial Functional Materials Nanjing Jiangsu 210093 China

Despite a long history of studies, acoustic waves are generally regarded as spinless scalar waves, until recent research revealed their rich structures. Here, we report the experimental observation of skyrmion configurations in acoustic waves. We find that surface acoustic waves trapped by a designed hexagonal acoustic metasurface give rise to skyrmion lattice patterns in the dynamic acoustic velocity fields (i.e., the oscillating acoustic air flows). Using an acoustic velocity sensing technique, we directly visualize a Néel-type skyrmion configuration of the acoustic velocity fields. We further demonstrate, respectively, the controllability and robustness of the acoustic skyrmion lattices by tuning the phase differences between the acoustic sources and by introducing local perturbations in our setup. Our study unveils a fundamental acoustic phenomenon that may enable unprecedented manipulation of acoustic waves and may inspire future technologies including advanced acoustic tweezers for the control of small particles.

关键词： Acoustic metamaterials Skyrmions Topological phases of matter

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Monoclinic EuSn2As2: A Novel High-Pressure Network Structure

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Physical Review Letters 2021年第15期126卷 155701-155701页

作者： Lin Zhao Changjiang Yi Chang-Tian Wang Zhenhua Chi Yunyu Yin Xiaoli Ma Jianhong Dai Pengtao Yang Binbin Yue Jinguang Cheng Fang Hong Jian-Tao Wang Yonghao Han Youguo Shi Xiaohui Yu Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of Sciences Beijing 100190 China State Key Laboratory of Superhard Materials Jilin University Changchun 130012 China School of Physical Sciences University of Chinese Academy of Sciences Beijing 100049 China Key Laboratory of Materials Physics Institute of Solid State Physics HFIPS Chinese Academy of Sciences Hefei 230031 China Center for High Pressure Science & Technology Advanced Research Haidian Beijing 100094 China Songshan Lake Materials Laboratory Dongguan Guangdong 523808 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China

The layered crystal of EuSn2As2 has a Bi2Te3-type structure in rhombohedral (R3¯m) symmetry and has been confirmed to be an intrinsic magnetic topological insulator at ambient conditions. Combining ab initio calculations and in situ x-ray diffraction measurements, we identify a new monoclinic EuSn2As2 structure in C2/m symmetry above ∼14 GPa. It has a three-dimensional network made up of honeycomblike Sn sheets and zigzag As chains, transformed from the layered EuSn2As2 via a two-stage reconstruction mechanism with the connecting of Sn-Sn and As-As atoms successively between the buckled SnAs layers. Its dynamic structural stability has been verified by phonon mode analysis. Electrical resistance measurements reveal an insulator-metal-superconductor transition at low temperature around 5 and 15 GPa, respectively, according to the structural conversion, and the superconductivity with a TC value of ∼4 K is observed up to 30.8 GPa. These results establish a high-pressure EuSn2As2 phase with intriguing structural and electronic properties and expand our understandings about the layered magnetic topological insulators.

关键词： Phase transitions Crystal structures First-principles calculations X-ray diffraction

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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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Super stable CsPbBr3@SiO2 tumor imaging reagent by stress-response encapsulation

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Nano research 2020年第3期13卷 795-801页

作者： Wentao Song Yiming Wang Bing Wang Yingfang Yao Wenguang Wang Jinhui Wu Qing Shen Wenjun Luo Zhigang Zou Eco-materials and Renewable Energy Research Center(ERERC) College of Engneering and Applied SciencesNanjing UniversityNo.22 Hankou RoadNanjing210093China Jiangsu Key Laboratory for Nano Technology National Laboratory of Solid State MicrostructuresDepartment of PhysicsNanjing UniversityNo.22 Hankou RoadNanjing210093China Collaborative Innovation Center of Advanced Microstructures Nanjing UniversityNo.22 Hankou RoadNanjing210093China Faculty of Informatics and Engineering The University of Electro-CommunicationsTokyo182-8585Japan Macao Institute of Systems Engineering Macao University of Science and TechnologyMacao999078China

Great photoelectric properties can herald the high potentials of CsPbBr3 nanocrystals(NCs)to function as the fluorescent probes for early tumor ***,the intrinsic water vulnerability of CsPbBr3 NCs highly restricts their biomedical *** conquer this challenge,we herein introduce a nature inspired"stress-response"method to tightly encapsulate CsPbBr3 into SiO2 nano-shells that can dramatically improve the water stability of CsPbBr3@SiO2 nanoparticles for over 48 *** further highlighted the advantageous features of CsPbBr3@SiO2 by using them as the fluorescent probes for CT26 tumor cell imaging with their high water stability,biocompatibility,and low *** work for the first time exhibited the potential of lead halide perovskite NCs for tumor diagnosis,and can highly anticipate the further in vivo biomedical applications that light up live cells.

关键词： CsPbBr3 nanocrystals stress response encapsulation cancer diagnose

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Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation

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npj Computational materials 2020年第1期6卷 107-117页

作者： Cui-Lan Ren Yang Yang Yong-Gang Li Ping Huai Zhi-Yuan Zhu Ju Li Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China Department of Nuclear Science and Engineering Massachusetts Institute of TechnologyCambridgeMA 02139USA Key Laboratory of Interfacial Physics and Technology Chinese Academy of SciencesShanghai 201800China National Center for Electron Microscopy Molecular FoundryLawrence Berkeley National LaboratoryBerkeleyCA 94720USA Key Laboratory of Materials Physics Institute of Solid State PhysicsChinese Academy of SciencesHefei 230031China Science Island Branch of Graduate School University of Science and Technology of ChinaHefei 230026China School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteShanghai 201204China Department of Materials Science and Engineering Massachusetts Institute of TechnologyCambridgeMA 02139USA

Accelerator-based ion-beam irradiation has been widely used to mimic the effects of neutron radiation damage in nuclear ***,ion radiation is most often monodisperse in the incoming ions’momentum direction,leading to excessive polarization in defect distribution,while the scattering under neutron irradiation is often more isotropic and has less radiation-induced *** of the excess-polarization as well as the damage non-uniformity artifact might be crucial for making the simulation of neutron radiation by ion-beam radiation more *** this work,a general radiation polarization theory in treating radiation as external polar stimuli is established to understand the natural material responses in different contexts,and the possibility to correct the defect polarization artifact in ion-beam *** by Magic Angle Spinning in Nuclear Magnetic Resonance,we present a precise sample spinning strategy to reduce the point-defect imbalance effect in ion-beam *** can be seen that with optimized surface inclination angle and the axis of sample rotation,the vacancy-interstitial population imbalance,as well as the damage profile non-uniformity in a designated region in the target are both *** is estimated that sample spinning frequency on the order of kHz should be sufficient to scramble the ion momentum monodispersity for commonly taken ion fluxes and dose rates,which is experimentally feasible.

关键词： beam vacancy momentum

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Room temperature ferromagnetism in ultra-thin van der Waals crystals of 1T-CrTe2

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Nano research 2020年第12期13卷 3358-3363页

作者： Xingdan Sun Wanying Li Xiao Wang Qi Sui Tongyao Zhang Zhi Wang Long Liu Da Li Shun Feng Siyu Zhong Hanwen Wang Vincent Bouchiat Manuel Nunez Regueiro Nicolas Rougemaille Johann Coraux Anike Purbawati Abdellali Hadj-Azzem Zhenhua Wang Baojuan Dong Xing Wu Teng Yang Guoqiang Yu Bingwu Wang Zheng Han Xiufeng Han Zhidong Zhang Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang110016China School of Material Science and Engineering University of Science and Technology of ChinaHefei230026China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing100049China Songshan Lake Materials Laboratory Dongguan523808China Beijing National Laboratory for Molecular Sciences Beijing Key Laboratory of Magnetoelectric Materials and DevicesCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing100871China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan030006China State Key Laboratory of Quantum Optics and Quantum Optics Devices Institute of Opto-ElectronicsShanxi UniversityTaiyuan030006China Shanghai Key Laboratory of Multidimensional Information Processing Department of Electrical Engineering East China Normal University500 Dongchuan RoadShanghai200241China Institut Néel University Grenoble AlpesCNRSGrenoble INPF-38000GrenobleFrance School of Physical Science and Technology ShanghaiTech UniversityShanghai200031China

Although many emerging new phenomena have been unraveled in two dimensional(2D)materials with long-range spin orderings,the usually low critical temperature in van der Waals(vdW)magnetic material has thus far hindered the related practical ***,we show that ferromagnetism can hold above 300 K in a metallic phase of 1T-CrTe2 down to the ultra-thin *** thus makes CrTe2 so far the only known exfoliated ultra-thin vdW magnets with intrinsic long-range magnetic ordering above room *** in-plane room-temperature negative anisotropic magnetoresistance(AMR)was obtained in ultra-thin CrTe2 devices,with a sign change in the AMR at lower temperature,with−0.6%and+5%at 300 and 10 K,*** findings provide insights into magnetism in ultra-thin CrTe2,expanding the vdW crystals toolbox for future room-temperature spintronic applications.

关键词： room temperature ferromagnetism two dimensional(2D) CrTe2 anisotropic magnetoresistance(AMR)

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