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Manipulating Na occupation and constructing protective film of P2-Na_(0.67)Ni_(0.33)Mn_(0.67)O_(2) as long-term cycle stability cathode for sodium-ion batteries

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Journal of Energy Chemistry 2024年第1期88卷 603-611,I0013页

作者： Yiran Sun Pengfei zhou Siyu Liu zhongjun zhao Yihao Pan Xiangyan Shen Xiaozhong wu Jinping zhao Junying weng Jin zhou School of Chemistry and Chemical Engineering Shandong University of TechnologyZibo 0255000ShandongChina School of Materials Science and Engineering Shandong University of TechnologyZibo 255049ShandongChina

P2-Na_(0.67)Ni_(0.33)Mn_(0.67)O_(2)(NNMO)is promising cathode material for sodium-ion batteries(SIBs)due to its high specific capacity and fast Na+diffusion ***,the irreversible P2-O_(2)phase transformation,Na+/vacancy ordering,and transition metal(TM)dissolution seriously damage its cycling stability and restrict its commercialization ***,Na occupation manipulation and interface stabilization are proposed to strengthen the phase structure of NNMO by synergistic zn/Ti co-doping and introducing lithium difluorophosp(LiPO_(2)F_(2))film-forming electrolyte *** zn/Ti co-doping regulates the occupancy ratio of Nae/Nafat Na sites and disorganizes the Na+/vacancy ordering,resulting in a faster Na+diffusion kinetics and reversible P2-z phase transition for P2-Na_(0.67)Ni_(0.28)zn_(0.05)Mn_(0.62)Ti_(0.05)O_(2)(NNzMTO).Meanwhile,the LiPO_(2)F_(2)additive can form homogeneous and ultrathin cathode-electrolyte interphase(CEI)on NNzMTO surface,which can stabilize the NNzMTO-electrolyte interface to prevent TM dissolution,surface structure transformation,and micro-crack *** studies of in situ and ex situ characterizations and theoretical calculations were used to elucidate the storage mechanism of NNzMTO with Li PO_(2)F_(2)*** a result,the NNzMTO displays outstanding capacity retention of 94.44%after 500 cycles at 1C with 0.3 wt%Li PO_(2)F_(2),excellent rate performance of 92.5 mA h g^(-1)at 8C with 0.1 wt%Li PO_(2)F_(2),and remarkable full cell *** work highlights the important role of manipulating Na occupation and constructing protective film in the design of layered materials,which provides a promising direction for developing high-performance cathodes for SIBs.

关键词： Layered cathode zn/Ti co-doping Na occupation Electrolyte additive Sodium-ion batteries

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Solvent effects on Diels-Alder reaction in ionic liquids:A reaction density functional study

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Chinese Journal of Chemical Engineering 2024年第2期66卷 180-188页

作者： zijiang Dou weiqiang Tang Peng Xie Shuangliang zhao Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology and School of Chemistry and Chemical Engineering Guangxi UniversityNanning 530004China State Key Laboratory of Chemical Engineering and School of Chemical Engineering East China University of Science and TechnologyShanghai 200237China

Extensive experimental studies have been performed on the Diels-Alder(DA)reactions in ionic liquids(ILs),which demonstrate that the IL environment can significantly influence the reaction rates and ***,the underlying microscopic mechanism remains *** this work,the multiscale reaction density functional theory is applied to explore the effect of 1-butyl-3-methylimidazolium hexafluorophosphate([BMIM][PF_(6)])solvent on the reaction of cyclopentadiene(CP)with acrolein,methyl acrylate,or *** analyzing the free energy landscape during the reaction,it is found that the polarization effect has a relatively small influence,while the solvation effect makes both the activation free energy and reaction free energy *** addition,the rearrangement of local solvent structure shows that the cation spatial distribution responds more evidently to the reaction than the anion,and this indicates that the cation plays a dominant role in the solvation effect and so as to affect the reaction rates and selectivity of the DA reactions.

关键词： Solvent effect Ionic liquids Diels-Alder reaction Reaction density functional theory

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High-Efficiency Dynamic Terahertz Deflector Utilizing a Mechanically Tunable Metasurface

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Research 2024年第3期2023卷 585-594页

作者： zhenci Sun Chao Liang Chen Chen Xiayu wang Enze zhou Xiaomeng Bian Yuanmu Yang Rui You Xiaoguang zhao Jiahao zhao zheng You Department of Precision Instrument Tsinghua UniversityBeijing 100084China State Key Laboratory of Precision Measurement Technology and Instruments Tsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Integrated Circuits Beijing 100084China School of Instrument Science and Opto-Electronic Engineering Beijing Information Science and Technology UniversityBeijing 100016China.

Terahertz (THz) wave manipulation, especially the beam deflection, plays an essential role in various applications, such as next-generation communication, space exploration, and high-resolution imaging. Current THz optical components and devices are hampered by their large bulk sizes and passive responses, limiting the development of high-performance, miniaturized THz microsystems. Tunable metasurfaces offer a powerful dynamic optical platform for controlling the propagation of electromagnetic waves. In this article, we presented a mechanically tunable metasurface (MTM), which can achieve terahertz beam deflection and vary the intensity of the anomalous reflected terahertz wave by changing the air gap between the metallic resonator (MR) array with phase discontinuities and Au ground plane. The absence of lossy spacer materials substantially enhances deflection efficiency. The device was fabricated by a combination of the surface and bulk-micromachining processes. The THz beam steering capability was characterized using terahertz time domain spectroscopy. when the air gap is 50 μm, the maximum deflection coefficient reaches 0.60 at 0.61 THz with a deflection angle of ~44.5°, consistent with theoretical predictions. we further established an electrically tunable miniaturized THz device for dynamic beam steering by introducing a micro voice coil motor to control the air gap continuously. It is shown that our designed MTM demonstrates a high modulation depth of deflection coefficient (~ 62.5%) in the target steered angle at the operating frequency. Our results showcase the potential of the proposed MTM as a platform for high-efficiency THz beam manipulation.

关键词： tunable Efficiency resonator

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wettability and corrosion behavior between alkaline slag from sodium smelting of vanadium-titanium magnetite and refractory substrates

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Journal of Iron and Steel Research International 2024年第6期31卷 1399-1410页

作者： Fei zhao zhi-wei Bian Hong-xin zhao De-sheng Chen zhang-fu Yuan Yu-lan zhen Li-na wang Tao Qi Collaborative Innovation Center of Steel Technology University of Science and Technology BeijingBeijing 100083China National Engineering Research Center of Green Recycling for Strategic Metal Resources Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Hebei zhongke Tongchuang Vanadium&Titanium Technology Co. Ltd.Hengshui 053000HeheiChina

The sodium smelting of vanadium-titanium magnetite can achieve the comprehensive utilization of Fe,V,and ***,the generation of alkaline slag during this process may cause damage to refractory *** wettability and corrosion behavior of alkaline slag on three types of refractory(MgO-C,SiC,and high alumina refractory)substrates were investigated at temperatures up to 1200℃.The effects of duration on the wettability of molten slag on SiC substrates were also *** showed that the high alumina refractory exhibited better wettability with the molten slag than the others,and thus,it is easier to be *** results of scanning electron microscopy coupled with energy dispersive spectroscopy showed that MgO-C and high alumina refractory substrates were severely *** was a visible and regular interfacial reaction layer between the slag and SiC refractory substrate,which was produced by the redox reaction between the metal oxides in the slag and the SiC refractory *** the increase in holding time,the interface layer expands and silico-ferrite phases are generated at the *** redox reaction between Fe_(2)O_(3) and SiC substrate is the main reason for the *** comparing the differences in wettability and corrosion behavior between the alkaline slag from sodium smelting of vanadium-titanium magnetite and MgO-C,SiC and high alumina refractories,it is concluded that SiC refractory has good corrosion resistance to the *** oxides in the slag accelerate the oxidation rate of SiC refractory.

关键词： wettability Corrosion Alkaline slag-Contact angle Vanadium-titanium magnetite Refractory

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Hourly land surface temperature retrieval over the Tibetan Plateau using Geo-LightGBM framework: Fusion of Himawari-8 satellite, ERA5 and site observations

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Advances in Climate Change Research 2024年第4期15卷 623-635页

作者： zhao-Hua LIU Shan-Shan wENG zhao-Liang zENG Ming-Hu DING Ya-Qiang wANG zhehao LIANG Civil and Surveying&Mapping Engineering Jiangxi University of Science and TechnologyGanzhou 341000China State Key Laboratory of Severe weather Chinese Academy of Meteoroogical Sciences Beijing 100081China Space Geodesy and Geoinformation Technical Unviersity of BerlinBerlin 10623Germany

The Tibetan Plateau(TP)is highly sensitive to even minor fluctuations in land surface temperature(LST),which can result in permafrost melting and degradation of alpine grasslands,leading to serious ecological ***,it is crucial to have high-temporal-resolution and seamless hourly estimating and monitoring of LST for a better understanding of climate change on the ***,we employed Himawari-8 satellite,Digital Elevation Model(DEM),ERA5 reanalysis and meteorological station observations data to develop a new LightGBM framework(called Geo-LightGBM)for estimating LST on the TP,and then analyzed the spatiotemporal variations of those ***-LightGBM demonstrated excellent LST estimation accuracy,with an R2(coefficient of determination)of 0.971,RMSE(root-mean-square error)of 2.479℃,and MAE(mean absolute error)of 1.510℃.The estimated LST values for the year 2020 agreed well with observed values,with remarkable differences in hourly LST ***,the estimated LST was more accurate than that from ***,there were two high LST centers,located in the Yarlung zangbo River Basin and the Qaidam Basin,and a low LST center located in the central *** SHAP(SHapley Additive exPlanations)and correlation analyses revealed DSCS(the mean ground downward shortwave radiation under clear-sky conditions)to be the most importantly input variable for estimating *** dummy variables(e.g.,longitude,latitude,DEM)were also found to be crucial for model accuracy *** findings indicate the potential for constructing a high-precision and seamless 24-h LST real-time retrieval and monitoring platform for the TP by combining satellite and China's independently developed CLDAS(China Land Data Assimilation System)data in future.

关键词： Tibetan Plateau Himawari-8 ERA5 Land surface temperature Geo-LightGBM

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Sensing of membrane tensions:the pleiotropic functions of OSCA/TMEM63 mechanosensitive ion channels

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Journal of Genetics and Genomics 2024年第6期51卷 579-582页

作者： Bo Yu Alex Costa Yang zhao Shanghai Center for Plant Stress Biology CAS Center for Excellence in Molecular Plant SciencesChinese Academy of SciencesShanghai 200032China Key Laboratory of Plant Carbon Capture Chinese Academy of SciencesShanghai 200032China University of Chinese Academy of Sciences Beijing 100049China Department of Biosciences University of MilanVia Celoria 26Milan 20133Italy

Organisms sense and respond to environmental and developmental signals to drive adaptive responses(Kefauver et al.,2020;Yu et al.,2024).These stimuli can be mainly divided into physical and chemical stimuli,and the physical stimuli include light,temperature,sound,vibration,pressure,stretch,shear stress,osmotic stress,and substrate *** of these physical stimuli trigger physical forces and alter membrane tension,which in turn activates mechanosensitive channels(MsCs)and converts the mechanical cues into biochemical signals.

关键词： deformation. convert mec

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Bifunctional noble-metal-free cocatalyst coating enabling better coupling of photocatalytic CO_(2)reduction and H_(2)O oxidation on direct z-scheme heterojunction

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Nano Research 2024年第6期17卷 5022-5030页

作者： wei zhao weihao Mo Yan zhang Lingxuan Hu Yiyi zheng zhulei Chen Xiangyue Niu Yuling zhao Lichun Liu Shuxian zhong Song Bai Key Laboratory of the Ministry of Education for Advanced Catalysis Materials College of Chemistry and Materials ScienceZhejiang Normal UniversityJinhua 321004China College of Biological Chemical Sciences and Engineering and Nanotechnology Research InstituteJiaxing UniversityJiaxing 314001China College of Geography and Environmental Sciences Zhejiang Normal UniversityJinhua 321004China College of Chemical and Biological Engineering Zhejiang UniversityHangzhou 310058China School of Biological and Chemical Engineering Panzhihua UniversityPanzhihua 617000China

Selective loading of spatially separated redox cocatalysts on direct z-scheme heterojunctions holds great promise for advancing the efficiency of artificial photosynthesis,which however is limited to the photodeposition of noble metal cocatalysts and the fabrication of hollow double-shelled semiconductor ***,the co-exposure of discrete cocatalyst and semiconductor increases the product diversity when both the exposed sites of which participate in CO_(2)***,we present a facile and versatile protocol to overcome these limitations via surface coating of z-scheme heterojunctions with bifunctional noble-metal-free *** Cu_(2)O/Fe_(2)O_(3)(CF)as a model heterojunction and layered Ni(OH)_(2)as a model cocatalyst,it is found that Ni(OH)_(2)lying on the surfaces of Cu_(2)O and Fe_(2)O_(3)separately co-catalyzes the CO_(2)reduction and H_(2)O *** experimental and theoretical investigation reveals that the Ni(OH)_(2)outer layer:(i)mitigates the charge recombination in CF and balances their transfer and consumption;(ii)reduces the rate-determining barriers for CO_(2)-to-CO and H_(2)O-to-O_(2)conversion,(iii)suppresses the side proton reduction occurring on CF,and(iv)protects the CF from component *** expected,the redox reactions stoichiometrically proceed,and significantly enhanced photocatalytic activity,selectivity,and stability in CO generation are achieved by the stacked Cu_(2)O/Fe_(2)O_(3)@Ni(OH)_(2)in contrast to *** study demonstrates the significance of the synergy between bifunctional cocatalysts and z-scheme heterojunctions for improving the efficacy of overall redox reactions,opening a fresh avenue for the rational design of artificial photosynthetic systems.

关键词： z-scheme heterojunction bifunctional cocatalyst CO_(2)reduction H_(2)O oxidation stoichiometric redox reaction

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Geometry characteristics and wide temperature behavior of silicon-based GaN surface acoustic wave resonators with ultrahigh quality factor

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Science China(Information Sciences) 2024年第2期67卷 267-278页

作者： Guofang YU Renrong LIANG Haiming zhao Lei XIAO Jie CUI Yue zhao wenpu CUI Jing wANG Jun XU Jun FU Tianling REN School of Integrated Circuits Tsinghua University Beijing National Research Center for Information Science Technology Tsinghua University

Surface acoustic wave(SAw) resonators with an ultrahigh Q-factor are designed and fabricated on silicon-based gallium nitride(GaN/Si). The temperature-dependent performance is characterized over a wide range, from 10 to 500 K. Finite element analysis is employed to guide the design of the SAw resonator from indications of the Rayleigh mode and weak propagation direction dependence of SAw in the c-plane of GaN/Si. The SAw resonator with 100 pairs of interdigital transducers(IDT), 100 pairs of grating reflectors(GR) for each side, aperture size of 80 μm, metallization ratio of 0.5, and electrode width of 500 nm resonates at 1.9133 GHz accordingly with an ultrahigh Q-factor of 7622 at room temperature, which contributes the fr× Qr, up to 14.583×1012Hz. A resonator operating over 10 to 500 K indicates an approximately linear decreasing temperature dependence above 280 K while being approximately constant below 40 K. The fitting to resonator characteristics using the modified Butterworth Van Dyke(m BVD) model reveals a reduction in both the electrode and mechanical losses while worsening the dielectric loss with cooling down.

关键词： GaN/Si SAw resonator ultrahigh Q-factor temperature-dependent performance mBVD losses

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Heterostructural NiFew disulfide and hydroxide dual‐trimetallic core‐shell nanosheets for synergistically effective water oxidatio

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Carbon Energy 2024年第8期6卷 192-204页

作者： Peng‐Fei Guo Yang Yang Bing zhu Qian‐Nan Yang Yan Jia wei‐Tao wang zhao‐Tie Liu Shi‐Qiang zhao Xun Cui Key Laboratory of Chemical Additives for China National Light Industry College of Chemistry and Chemical EngineeringShaanxi University of Science and TechnologyXi'anChina School of Chemistry and Chemical Engineering Shaanxi Normal UniversityXi'anChina Key Laboratory of Carbon Materials of zhejiang Province Wenzhou Key Lab of Advanced Energy Storage and ConversionZhejiang Province Key Lab of Leather EngineeringCollege of Chemistry and Materials EngineeringWenzhou UniversityWenzhouChina State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile UniversityWuhanChina

A stable and highly active core‐shell heterostructure electrocatalyst is essential for catalyzing oxygen evolution reaction(OER).Here,a dual‐trimetallic core‐shell heterostructure OER electrocatalyst that consists of a NiFewS_(2)inner core and an amorphous NiFew(OH)_(z)outer shell is designed and synthesized using in situ electrochemical *** electrochemical measurements of different as‐synthesized catalysts with a similar mass loading suggest that the core‐shell Ni_(0.66)Fe_(0.17)w_(0.17)S_(2)@amorphous NiFew(OH)_(z)nanosheets exhibit the highest overall performance compared with that of other bimetallic reference catalysts for the ***,the nanosheet arrays were in situ grown on hydrophilic‐treated carbon paper to fabricate an integrated three‐dimensional electrode that affords a current density of 10 mA cm^(−2)at a small overpotential of 182 mV and a low Tafel slope of 35 mV decade^(−1)in basic *** Faradaic efficiency of core‐shell Ni_(0.66)Fe_(0.17)w_(0.17)S_(2)@amorphous NiFew(OH)_(z)is as high as 99.5%for *** scanning electron microscope,transmission electron microscope,and X‐ray photoelectron spectroscopy analyses confirm that this electrode has excellent stability in morphology and elementary composition after long‐term electrochemical ***,density functional theory calculations further indicate that the core‐shell heterojunction increased the conductivity of the catalyst,optimized the adsorption energy of the OER intermediates,and improved the OER *** study provides a universal strategy for designing more active core‐shell structure electrocatalysts based on the rule of coordinated regulation between electronic transport and active sites.

关键词： amorphous NiFew hydroxide core‐shell heterojunction in situ electrochemical tuning NiFew disulfide oxygen evolution reaction

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Origin of off-centering effect and the influence on heat transport in thermoelectrics

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Materials Futures 2024年第1期3卷 142-149页

作者： Hongyao Xie Li-Dong zhao School of Materials Science and Engineering Beihang UniversityBeijing 100191People’s Republic of China

Recently,off-centering behavior has been discovered in a series of thermoelectric *** behavior indicates that the constituent atoms of the lattice displace from their coordination centers,leading to the locally distorted state and local symmetry breaking,while the material still retains its original crystallographic *** effect has been proved to be the root cause of ultralow thermal conductivity in off-centering materials,and is considered as an effective tool to regulate the thermal conductivity and improve the thermoelectric ***,we present a collection of recently discovered off-centering compounds,discuss their electronic origins and local coordination structures,and illuminate the underlying mechanism of the off-centering effect on phonon transport and thermal *** paper presents a comprehensive view of our current understanding to the off-centering effect,and provides a new idea for designing high performance thermoelectrics.

关键词： thermoelectric thermal conductivity off-centering behavior acoustic-optical phonon scattering

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