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Design of a cationic accelerator enabling ultrafast ion diffusion kinetics in aqueous zinc-ion batteries

第十三届全国量子化学会议

作者： Ying Wang Xinsheng Jin haoyu s.yu Donald G.Truhlar Xiao He school of Chemistry and Molecular Engineering East China Normal University

M06-L has proven to be one of the most accurate local functionals currently available,but it has room for improvement with regard to numerical stability and overall *** we present a revised M06-L functional,named revM06-L,which gives both smoother potential energy curves and improved overall accuracy,especially for chemical reaction barrier heights,noncovalent interactions,and solid-state *** obtained the revM06-L functional by optimizing against a larger database than had been used for M06-L and by using smoothness *** mean unsigned error(MUE) of revM06-L on 422 chemical energies is 3.07 kcal/mol,which is improved from 3.57 kcal/mol calculated by *** MUE of revM06-L for the chemical reaction barrier height database(BH76) is 1.98 kcal/mol,which is improved by more than a factor of 2 with respect to the M06-L *** revM06-L functional gives the best result among local functionals tested for the noncovalent interaction database(NC51),with an MUE of only0.36 kcal/mol,and the MUE of revM06-L for the solid-state lattice constant database(LC17) is about half of that for *** revM06-L functional also predicts more accurate results than M06-L in 6 out of 7 diversified test sets not used for *** conclude that the revM06-L functional is well suited for a broad range of applications in chemistry and condensed matter physics.

关键词： DFT local functional M06-L barrier height noncovalent interactions chemical energies

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Journal of Energy Chemistry 2025年第1期100卷 377-384页

作者： Yawei Xiao Qianqian Gu haoyu Li Mengyao Li yude Wang National Center for International Research on Photoelectric and Energy Materials School of Materials and Energy Yunnan University Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources School of Chemistry and Chemical Engineering Hainan University College of Chemical Engineering Fuzhou University yunnan Key Laboratory of Carbon Neutrality and Green Low-carbon Technologies Yunnan University

Aqueous zinc-ion batteries are highly favored for grid-level energy storage owing to their low cost and high safety,but their practical application is limited by slow ion *** address this,a strategy has been developed to create a cation-accelerating electric field on the surface of the cathode to achieve ultrafast Zn2+diffusion *** employing electrodeposition to coat Mos2on the surface of BaV6O16·3H2O nanowires,the directional built-in electric field generated at the heterointerface acts as a cation accelerator,continuously accelerating Zn2+diffusion into the active *** optimized Zn2+diffusion coefficient in CC@BaV-6O16·3H2O@Mos2(7.5×10～8cm2s-1) surpasses that of most reported V-based ***,Mos2serving as a cathodic armor extends the cycling life of the Zn-CC@BaV6O16·3H2O@Mos2full batteries to over 10000 *** work provides valuable insights into optimizing ion diffusion kinetics for high-performance energy storage devices.

关键词： Zinc alloys

InNi alloy-induced interface effect promoting the parallel electron transfer: improved photothermal catalytic CO2 hydrogenation

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science China Chemistry 2025年

作者： haoyu Zhang yuhang Li yu Nie Xinyu Dou Haodong Ji Xin Tan Jinhua Ye Tao yu school of Chemical Engineering and Technology Tianjin University Eco-environment and Resource Efficiency Research Laboratory School of Environment and Energy Peking University Shenzhen Graduate School school of Environmental science and Engineering Tianjin University Advanced Catalytic Materials Research Center School of Materials Science and Engineering Tianjin University Research Center for solar Driven Carbon Neutrality Hebei University

Photothermal catalytic CO2hydrogenation is an effective means of utilizing carbon ***,it is severely limited in terms of kinetics and ***,it is necessary to meticulously design catalysts to solve this ***,a sandwich structured NiO@InNi/In2O3is designed to intrinsically regulate the direction of photogenerated carriers transfer,resulting in a CO yield of 42.97 mmol g-1h-1(1290.3μmol h-1) with a selectivity near to 100%.InNi alloy favors the collection of photogenerated carriers by the parallel way and enhancement of the adsorption and activation of *** grown on the surface of InNi alloy not only improves the adsorption of H2and provides sufficient H+for the reaction,but also makes InNi alloy more stable during the reaction *** photothermal effect caused by In2O3accelerates the transfer of photogenerated carriers and increases the surface temperature of the catalyst,thereby synergistically promoting the reaction from a kinetic *** work ameliorates the kinetic and thermodynamic limitations of the photothermal catalytic CO2hydrogenation process through rationally designing the electron transfer direction of the sandwich structured catalysts to parallel way.

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Morphology engineering of ZnO micro/nanostructures under mild conditions for optoelectronic application

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 498-503页

作者： Liang Chu haoyu shen Hudie Wei Hongyu Chen Guoqiang Ma Wensheng Yan Institute of Carbon Neutrality and New Energy&school of Electronics and Information Hangzhou Dianzi UniversityHangzhou 310018China school of Applied Physics and Materials Wuyi UniversityJiangmen 529020China

Zinc oxide(ZnO)serves as a crucial functional semiconductor with a wide direct bandgap of approximately 3.37 *** reaction is commonly used in the synthesis of ZnO micro/nanostructures,given its low cost,simplicity,and easy ***,ZnO morphology engineering has become desirable through the alteration of minor conditions in the reaction process,particularly at room *** this work,ZnO micro/nanostructures were synthesized in a solution by varying the amounts of the ammonia added at low temperatures(including room temperature).The formation of Zn^(2+)complexes by ammonia in the precursor regulated the reaction rate of the morphology engineering of ZnO,which resulted in various structures,such as nanoparticles,nanosheets,microflowers,and single ***,the obtained ZnO was used in the optoelectronic application of ultraviolet detectors.

关键词： morphology engineering low temperature ZnO nanosheets microflowers ultraviolet detector

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silk damping in scalar-induced gravitational waves: a novel probe for new physics

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science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 79-85页

作者： Yan-Heng yu sai Wang Theoretical Physics Division Institute of High Energy Physics Chinese Academy of Sciences school of Physics University of Chinese Academy of Sciences

silk damping is well known in the study of cosmic microwave background（CMB） and accounts for suppression of the angular power spectrum of CMB on large angular multipoles. In this article, we study the effect of silk damping on the scalar-induced gravitational waves（sIGWs）. Resulting from the dissipation of cosmic fluid, the silk damping notably suppresses the energydensity spectrum of sIGWs on scales comparable to a diffusion scale at the decoupling time of weakly-interacting particles. The effect offers a novel observable for probing the underlying particle interaction, especially for those mediated by heavy gauge bosons beyond the standard model of particles. We anticipate that pulsar timing arrays are sensitive to gauge bosons with mass ～10～3-10～4 GeV, while space-and ground-based interferometers to those with mass ～10～7-1012GeV, leading to essential complements to on-going and future experiments of high-energy physics.

关键词： scalar-induced gravitational waves silk damping new physics

Attention Eraser and Quantitative Measures for Automated Bone Age Assessment

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Computers, Materials & Continua 2025年第1期82卷 627-644页

作者： Liuqiang shu Lei yu College of Computer and Information science Chongqing Normal UniversityChongqing401331China

Bone age assessment(BAA)aims to determine whether a child’s growth and development are normal concerning their chronological *** predict bone age more accurately based on radiographs,and for the left-hand X-ray images of different races model can have better adaptability,we propose a neural network in parallel with the quantitative features from the left-hand bone measurements for *** this study,a lightweight feature extractor(LFE)is designed to obtain the featuremaps fromradiographs,and amodule called attention erasermodule(AEM)is proposed to capture the fine-grained ***,the dimensional information of the metacarpal parts in the radiographs is measured to enhance the model’s generalization capability across images fromdifferent *** is trained and validated on the RsNA,RHPE,and digital hand atlas datasets,which include images from various racial *** model achieves a mean absolute error(MAE)of 4.42 months on the RsNA dataset and 15.98 months on the RHPE *** to ResNet50,InceptionV3,and several state-of-the-art methods,our proposed method shows statistically significant improvements(ps across different racial ***,t-tests on the features also confirm the statistical significance of our approach(p<0.05).

关键词： Bone age assessment attention eraser quantitative feature metacarpal bones

Tilting homeostatic and dyshomeostatic microglial balance in health and disease:transforming growth factor-beta1 as a critical protagonist

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Neural Regeneration Research 2025年第10期20卷 2895-2897页

作者： Nicolas Hugues.yu Luo Department of Molecular and Cellular Biosciences University of CincinnatiCincinnatiOHUSA Neuroscience Graduate Program University of CincinnatiCincinnatiOHUSA Division of Immunobiology Cincinnati Children’s Hospital Medical CenterUniversity of Cincinnati College of MedicineCincinnatiOHUSA

Adult microglia,by continuously sensing changes in their environment and communicating with nearly all brain cell types,are considered to be the immune sentinels of the *** the healthy central nervous system(CNs),microglia display a unique molecular homeostatic signature(i.e.,Tmem119,P2ry12,sall1,siglech,Gpr34,and Hexb)(Figure 1A).

关键词： Figure signature critical

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Conversion-type cathode materials for high energy density solid-state lithium batteries

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Journal of Energy Chemistry 2025年第1期100卷 409-425页

作者： yuhao Ma shihong Qing Hongyu Liu Chuntao Ma yuan yu Chuang yu Liping Wang school of Materials and Energy University of Electronic Science and Technology of China Zhejiang Provincial Key Laboratory of Fiber Materials and Manufacturing Technology Zhejiang Sci-Tech University state Key Laboratory of Advanced Electromagnetic Engineering and Technology School of Electrical and Electronic Engineering Huazhong University of Science and Technology

solid-state lithium batteries （ssLBs） are regarded as an essential growth path in energy storage systems due to their excellent safety and high energy *** particular,ssLBs using conversion-type cathode materials have received widespread attention because of their high theoretical energy densities,low cost,and *** the great progress in research and development of ssLBs based on conversiontype cathodes,their practical applications still face challenges such as blocked ionic-electronic migration pathways,huge volume change,interfacial incompatibility,and expensive processing *** review focuses on the advantages and critical issues of coupling conversion-type cathodes with solid-state electrolytes （ssEs）,as well as state-of-the-art progress in various promising cathodes （e.g.,Fes2,Cus,FeF3,FeF2,and s） in ***,representative research on conversion-type solid-state full cells is discussed to offer enlightenment for their practical ***,the energy density exhibited by the s cathode stands out impressively,while sulfide ssEs and halide ssEs have demonstrated immense potential for coupling with conversion-type ***,perspectives on conversion-type cathodes are provided at the material,interface,composite electrode,and battery levels,with a view to accelerating the development of conversion-type cathodes for high-energy–density ssLBs.

关键词： sulfur compounds

Dynamic Regulation of Hydrogen Bonding Networks and solvation structures for synergistic solar‑Thermal Desalination of seawater and Catalytic Degradation of Organic Pollutants

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Nano-Micro Letters 2025年第2期17卷 548-565页

作者： Ming‑yuan yu Jing Wu Guang Yin Fan‑Zhen Jiao Zhong‑Zhen yu Jin Qu Beijing Key Laboratory of Advanced Functional Polymer Composites Beijing University of Chemical TechnologyBeijing 100029People’s Republic of China state Key Laboratory of Organic‑Inorganic Composites College of Materials Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029People’s Republic of China

Although solar steam generation strategy is efficient in desalinating seawater,it is still challenging to achieve continuous solar-thermal desalination of seawater and catalytic degradation of organic ***,dynamic regulations of hydrogen bonding networks and solvation structures are realized by designing an asymmetric bilayer membrane consisting of a bacterial cellulose/carbon nanotube/Co_(2)(OH)_(2)CO_(3)nanorod top layer and a bacterial cellulose/Co_(2)(OH)_(2)CO_(3)nanorod(BCH)bottom ***,the hydrogen bonding networks inside the membrane can be tuned by the rich surface–OH groups of the bacterial cellulose and Co_(2)(OH)_(2)CO_(3)as well as the ions and radicals in situ generated during the catalysis ***,both sO_(4)^(2−)and HsO_(5)−can regulate the solvation structure of Na^(+)and be adsorbed more preferentially on the evaporation surface than Cl^(−),thus hindering the de-solvation of the solvated Na^(+)and subsequent nucleation/growth of ***,the heat generated by the solar-thermal energy conversion can accelerate the reaction kinetics and enhance the catalytic degradation *** work provides a flow-bed water purification system with an asymmetric solar-thermal and catalytic membrane for synergistic solar thermal desalination of seawater/brine and catalytic degradation of organic pollutants.

关键词： solar steam generation seawater desalination Catalytic degradation Bacterial cellulose Cobalt hydroxycarbonate nanorods

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