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Energy band modulation of N-doped rutile/anatase TiO_(2) photoanode promoting charge separation toward prominent photoelectrochemical performance

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Rare Metals 2024年第8期43卷 3784-3797页

作者： Juan Gao Shi-Xuan Wang jia-Le deng ping-ping Wei Fu-zhang chen Ling-cheng Zheng Yue-Qin Wang Yang Li yin Liu Gang He School of Mechanics and Photoelectric Physics Anhui University of Science and TechnologyHuainan 232001China School of Materials Science and Engineering Anhui UniversityHefei230039China Tianneng Battery(Wuhu)Co. Ltd.Wuhu 241000China School of Materials Science and Engineering Anhui University of Science and TechnologyHuainan 232001China

To solve the problem of high photogenerated carrier recombination rate and low photoelectric conversion efficiency of TiO_(2)-based materials,a simple N-doped anatase/rutile TiO_(2) heterophase nanorod film was designed by a low-temperature hydrothermal method in this *** enhanced separation and transport of photogenerated charges were facilitated by the smaller contact barrier and appropriate band matching between anatase TiO_(2)nanoparticles and rutile TiO_(2) *** introduction of N doping in anatase TiO_(2) resulted in an upward shift of the valence band and a narrowing of the band gap,consequently enhancing the efficiency of visible light *** combination of the heterophase junction and N-doping exhibited a synergistic effect,effectively suppressing the recombination of photogenerated charges and enhancing the photoelectric conversion efficiency of the *** AM 1.5G irradiation,the photocurrent density(J)of the A-TO(N)@R-TONR photoanode reached2.19 mA·cm^(-2)(V_(RHE,1.23 eV)).Additionally,the incident photon-electron conversion efficiency(IPCE)and the charge injection efficiency(η)reached 81.4%and 51.6%at320 ***,the J,IPCE,andηvalues of the A-TO(N)@R-TONR photoanode were 2.96,2.1 and 3.2times those of pure R-TONR photoanode,*** work presents a rational strategy for designing efficient TiO_(2)-based photoanodes.

关键词： TiO_(2) Heterophase junction Photoanode

Understanding the cooperative effects in the catalysis of homodimeric fluoroacetate dehalogenase

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Science China Chemistry 2024年第7期67卷 2382-2391页

作者： Ke-Wei chen jia-Nan chen jun zhang Chao Wang Tian-Yu sun Yun-Dong Wu Key Laboratory of Computational Chemistry and Drug Design State Key Laboratory of Chemical OncogenomicSchool of Chemical Biology and BiotechnologyPeking University Shenzhen Graduate SchoolShenzhen 518055China Institute of Chemical Biology Shenzhen Bay LaboratoryShenzhen 518132China College of Chemistry and Molecular Engineering Peking UniversityBeijing 100871China Changping Laboratory Beijing 102200China

Fluoroacetate dehalogenases(FAcD),a homodimeric enzyme,catalyzes the conversion of fluoroacetic acid to glycolic acid(GoA).It has been proved that the enzyme has a half-of-the-site ***,its catalytic(C)subunit converts the first substrate to a covalent intermediate;then,the non-catalytic(NC)subunit binds a second substrate and promotes the conversion of the intermediate in the C subunit into the final *** the release of the product,the C subunit becomes the NC subunit,and the previous NC subunit becomes the C *** elucidate the detailed mechanism behind this cooperative catalysis,we have conducted microsecond-scale MD simulations along the reaction *** simulations indicate that the substrate in the NC subunit induces W185 and Y141 adopting an open conformation in the C *** opening of W185(C)facilitates the entry of catalytic water,enhancing the catalytic activity for product formation,while the opening of Y141(C)creates an unfavorable environment for product binding,promoting its *** interaction network analysis reveals that the substrate in the NC subunit can induce conformational changes through a conserved water chain at the interface.

关键词： enzyme catalysis molecular dynamics cooperative effect pre-reaction state

High-rate lithium-ion battery performance of a ternary sea urchin-shaped CoNiO_(2)@NiP_(6)Mo_(18)/CNTs composites

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Journal of Energy Chemistry 2024年第9期96卷 516-525页

作者： Li-ping Cui Shuang sun Kai Yu Shu zhang Mei-lin Wang jia-jia chen Bai-bin Zhou Key Laboratory for Photonic and Electronic Bandgap Materials Ministry of EducationSchool of Chemistry and Chemical EngineeringHarbin Normal UniversityHarbin 150025HeilongjiangChina State Key Laboratory of Physical Chemistry of Solid Surfaces Department of ChemistryCollege of Chemistry and Chemical EngineeringCollaborative Innovation Centre of Chemistry for Energy MaterialsXiamen UniversityXiamen 361005FujianChina

Bimetallic oxides are attractive anode materials for lithium-ion batteries(LIBs)due to their large theoretical ***,the low conductivity,short cycle life,and poor rate capability are the bottlenecks for their further *** overcome above issues,the basket-like polymolybdate(NiP_(6)Mo_(18))and carbon nanotubes(CNTs)were uniformly embedded on the urchin-shaped CoNiO_(2)nanospheres to yield a ternary composites CoNiO_(2)@NiP_(6)Mo_(18)/CNTs via electrostatic *** multi-level morphology of urchin spinules accelerates the diffusion rate of Li^(+);CNT improves the conductivity and enhances cycle stability of the material;and heteropoly acid contributes more redox activity ***,CoNiO_(2)@NiP_(6)Mo_(18)/CNTs as an anode of LIBs exhibits a high initial capacity(1396.7 mA h g^(−1)at 0.1 A g^(−1)),long-term cycling stability(750.2 mA h g^(−1)after 300 cycles),and rate performance(450.3 mA h g^(−1)at 2 A g^(−1)),which are superior to reported metallic oxides anode of *** density functional theory(DFT)and kinetic mechanism suggest that CoNiO_(2)@NiP_(6)Mo_(18)/CNTs delivers an outstanding pseudocapacitance and rapid Li^(+)diffusion behaviors,which is due to the rich surface area of the urchin-like CoNiO_(2)with the uniform embeddedness of NiP_(6)Mo_(18)and *** study provides a new idea for optimizing the performance of bimetallic oxides and developing high-rate lithium-ion battery composites.

关键词： Bi-metal oxides Transition metal oxides Polyoxometalates Nanocomposite LIBs

Furan-derived Schiff base covalent adaptable thermosets with recyclability and anti-flammability

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Green Chemical Engineering 2024年第3期5卷 364-373页

作者： ping zhang Shuyu jia Ruishi Xie Lin chen ying Xiong State Key Laboratory of Environment-friendly Energy Materials School of Materials Science and EngineeringSouthwest University of Science and TechnologyMianyang621010China

Conventional thermosetting polymers,mostly derived from nonrenewable petroleum resources,are not reprocessable and recyclable due to their highly cross-linked three-dimensional networks and face the disadvantage of high *** solve these issues,in this study,we synthesized a novel Schiff base covalent adaptable thermoset from a furan-derived tri-aldehyde monomer(TMFP)and a furan-derived di-amine monomer(DFDA).The as-prepared TMFP-DFDA-Vitrimer exhibited superior anti-flammability with a high limiting oxygen index(LOI)of 35.0%and a UL-94 V-0 rating,which was attributed to the excellent charring ***,TMFPDFDA-Vitrimer could also be conveniently recycled by chemical decomposition under a mixed hydrochloric acid/tetrahydrofuran(HCl/THF)*** recycling for 5 times,the thermal,mechanical,and flame retardant properties of the recycled TMFP-DFDA-Vitrimer retained almost unchanged compared to the original *** work provides a prime instance to develop advanced thermosetting polymers from abundant furan-based compounds.

关键词： Furan-based compounds Vitrimer Recyclability Flame retardancy

Work-function-induced interfacial electron redistribution of MoO_(2)/WO_(2) heterostructures for high-efficiency electrocatalytic hydrogen evolution reaction

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Rare Metals 2024年第2期43卷 489-499页

作者： Tong-Fei Li Jing Li Lu-ping zhang jia-Wei Ke Meng-Xing Fan Li-Fang zhang cheng-Wei deng Yi sun Tao Qian cheng-Lin Yan School of Chemistry and Chemical Engineering Nantong UniversityNantong226019China jiangsu Key Laboratory of New Power Batteries Jiangsu Collaborative Innovation Centre of Biomedical Functional MaterialsSchool of Chemistry and Materials ScienceNanjing Normal UniversityNanjing210023China Aerospace Hydrogen Energy Technology(Shanghai)Co.Ltd. Shanghai201800China Key Laboratory of Core Technology of High Specific Energy Battery and Key Materials for Petroleum and Chemical Industry College of EnergySoochow UniversitySuzhou215006China Light Industry Institute of Electrochemical Power Sources Suzhou215006China

The engineering of the electronic configurations of active sites,together with the production of more accessible active sites through heterostructure design,has been established as a forceful methodology for boosting water electrolysis ***,a facile approach is developed to fabricate well-dispersed MoO_(2) and WO_(2) nanoparticles with abundant heterointerfaces entrapped in N,P-doped carbon nanofibers(referred to as MoO_(2)/WO_(2)@N,P-CNFs hereafter)as hydrogen evolution reaction(HER)electrocatalysts in alkaline and acidic *** spectroscopic analyses and theoretical findings manifest that the heterointerface formed by the work function modulation of MoO_(2)/WO_(2) triggers the spontaneous electron redistribution from MoO_(2)to WO_(2) and a built-in electric field,which is essential to promote water adsorption,optimize the H-intermediate adsorption energy,result in the enhanced charge transfer efficiency,and ultimately increase the intrinsic HER ***,the intimate confinement of MoO_(2)/WO_(2) heterostructures in the porous carbon substrate can restrain the active sites from unfavorable coarsening and detachment,thus ensuring facilitated HER kinetics and outstanding structural *** a result,MoO_(2)/WO_(2)@N,P-CNFs exhibit superior catalytic HER performance in acidic and basic solutions,requiring 118 and 95 mV overpotentials to achieve 10 mA·cm^(−2),respectively,surpassing a number of reported non-noble metal-based *** work provides guidelines for the rational design and construction of special metallic heterocomponents with optimized interfacial electronic structure for various electrochemical technologies.

关键词： Electrospinning MoO_(2)/WO_(2) heterostructure Work function Hydrogen evolution reaction

Magnetic Interactions with Strain Gradient in Ultrathin Pr_(0.67)Sr_(0.33)MnO_(3) Films

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Engineering 2024年第9期40卷 158-165页

作者： Bangmin zhang ping Yang jun Ding Jingsheng chen Gan Moog Chow Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices School of PhysicsSun Yat-sen UniversityGuangzhou 510275China Singapore Synchrotron Light Source National University of SingaporeSingapore 117603Singapore Department of Materials Science and Engineering National University of SingaporeSingapore 117575Singapore

Strain gradient is a normal phenomenon around a heterostructural interface in ultrathin film,and it is important to determine its effect on magnetic interactions to understand interfacial *** this work,ultrathin Pr_(0.67)Sr_(0.33)MnO_(3)(PSMO)films on different substrates are *** PSMO film under different in-plane strain conditions,the saturated magnetization and Curie temperature can be qualitatively explained by double-exchange interaction and the Jahn-Teller ***,the difference in the saturated magnetization with zero field cooling and 5 T field cooling is proportional to the strain ***-gradient-induced structural disorder is proposed to enhance phonon-electron antiferromagnetic interactions and the corresponding antiferromagnetic-to-ferromagnetic phase transition via a strong magnetic field during the field cooling process.A non-monotonous structural transition of the MnO_(6) octahedral rotation can enlarge the strain gradient in PSMO film on a SrTiO_(3) *** work demonstrates the existence of the flexomagnetic effect in ultrathin manganite film,which should be applicable to other complex oxide systems.

关键词： Strain gradient Manganite film Octahedral rotation Flexomagnetic Magnetic interactions Phase transition

Megafossils of Betulaceae from the Oligocene of Qaidam Basin and their paleoenvironmental and phytogeographic implications

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Plant Diversity 2024年第1期46卷 101-115页

作者： Tao Yang jia-Hao cai Yan-Zhi Dai Hong-Yu chen Lei Han Li zhang Wei-Yu Liang Xu-jun Li Wen-jia Li Jing-Yu Wu San-ping Xie De-Fei Yan School of Earth Sciences and Key Laboratory of Mineral Resources in Western China(Gansu Province) Lanzhou UniversityLanzhou 730000China Key Laboratory of Vertebrate Evolution and Human Origins of Chinese Academy of Sciences Institute of Vertebrate Paleontology and PaleoanthropologyChinese Academy of SciencesBeijing 100044China State Key Laboratory of Palaeobiology and Stratigraphy Nanjing Institute of Geology and Palaeontology and Center for Excellence in Life and PaleoenvironmentChinese Academy of SciencesNanjing 210008China Center for Research and Education on Biological Evolution and Environments School of Earth Sciences and EngineeringNanjing UniversityNanjing 210023China

Understanding the paleoenvironment and phytogeographical history of the Tibetan Plateau,China relies on discovering new plant *** Qaidam Basin has long been regarded as an ideal‘field laboratory’to investigate the paleoclimate and paleobiological evolution of the northern Tibetan ***,fossil angiosperms from the Qaidam Basin are rare,and our knowledge of its paleovegetation is ***,we report fossil leaves and fruits of Betulaceae found from the Oligocene Shangganchaigou Formation of northwestern Qaidam Basin(Huatugou area).Comparative morphological analysis led us to assign the fruits to the Betula subgenus Betula and the leaves to Carpinus *** findings,together with other reported fossil plants from the same locality,reveal a close floristic linkage between the Qaidam Basin and Europe during the *** northern pathway of this floristic exchange may have crossed through the Qaidam Basin during the late *** floristic linkage may have been facilitated by the continuous narrowing of the Turgai Strait and stronger westerlies,which transported moisture and provided favorable climatic ***,fossil plants collected from the Qaidam Basin suggest that during the Oligocene this region had warm and humid deciduous broad-leaf forest,which differs from the region’s modern vegetation and indicates that the Qaidam Basin may have been a suitable region for these plants to flourish and spread during the Oligocene.

关键词： Paleoenvironment Biogeography Betulaceous fossil Qaidam basin Tibetan Plateau Oligocene

Online Consensus Control of Nonlinear Affine Systems From Disturbed Data

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IEEE/CAA Journal of Automatica Sinica 2024年第2期11卷 551-553页

作者： Yifei Li Wenjie Liu jian sun chen chen jia zhang Gang Wang National Key Laborary of Autonomous Intelligent Unmanned Systems Beijing Institute of TechnologyBeijing 100081 Beijing Institute of Technology Chongqing Innovation Center Chongqing 401120China

Dear Editor,In this letter, we introduce a novel online distributed data-driven robust control approach for learning controllers of unknown nonlinear multi-agent systems(MASs) using state-dependent representations.

关键词： agent online Online

In situ biosynthesis of bacterial cellulose hydrogel spheroids with tunable dimensions

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Journal of Bioresources and Bioproducts 2024年第1期9卷 90-101页

作者： Bianjing sun ping Wang Jingang zhang jianbin Lin Lingling sun Xiaokun Wang Chuntao chen Dongping sun Institute of Chemicobiology and Functional Materials School of Chemistry and Chemical EngineeringNanjing University of Science and TechnologyNanjing 210094China Zhonghao chenguang Chemical Research Institute Co. Ltd.Zigong 643201China

Bacterial cellulose(BC)hydrogel spheroid plays a significant role in diverse fields due to its spatial 3D structure and *** the present work,a series of BC spheroids with controllable size and shape was obtained via an in situ *** factors for fabricating BC spheroid in-cluding inoculum concentration of 1.35×10^(3)CFU/mL,shaking speeds at 100 r/min,and 48-96 h incubation time during the biosynthetic process,were comprehensively *** operable mechanism model for tuning the size of BC spheroids from 0.4 to 5.0 mm was proposed with a fresh feeding medium strategy of dynamic *** resulting BC spheroids exhibit an inter-active 3D network of nanofibers,a crystallinity index of 72.3%,a specific surface area of 91.2 m^(2)/g,and good *** study reinforces the understanding of BC spheroid forma-tion and explores new horizons for the design of BC spheroids-derived functional matrix materials for medical care.

关键词： In situ biosynthesis Bacterial cellulose Hydrogel Spheroid Tunable dimension