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Effects of surface chlorine atoms on charge distribution and reaction barriers for photocatalytic CO_(2)reduction

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Nano materials Science 2024年第2期6卷 235-243页

作者： Wendong Zhang Wenjun ma Yuerui ma Peng Chen Qingqing Ye yi Wang Zhongwei Jiang yingqing Ou Fan Dong Chongqing Key Laboratory of Green Synthesis and Application&Chongqing Key Laboratory of Inorganic Functional materials College of ChemistryChongqing Normal UniversityChongqing401331China Suzhou Industrial Technology Research Institute of Zhejiang University Jiangsu215000China Department of Chemistry Faculty of ScienceNational University of SingaporeSingapore117543Singapore Yangtze Delta Region Institute(Huzhou)&Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaHuzhou313001China

Photocatalytic CO_(2)reduction to produce high value-added carbon-based fuel has been proposed as a promising approach to mitigate global warming ***,the conversion efficiency and product selectivity are still low due to the sluggish dynamics of transfer processes involved in proton-assisted multi-electron *** the formation energy barriers of intermediate products is an effective method to enhance the selectivity and productivity of final *** this study,we aim to regulate the surface electronic structure of Bi_(2)WO_(6)by doping surface chlorine atoms to achieve effective photocatalytic CO_(2)*** Cl atoms can enhance the absorption ability of light,affect its energy band structure and promote charge *** with DFT calculations,it is revealed that surface Cl atoms can not only change the surface charge distribution which affects the competitive adsorption of H_(2)O and CO_(2),but also lower the formation energy barrier of intermediate products to generate more intermediate*COOH,thus facilitating CO ***,this study demonstrates a promising surface halogenation strategy to enhance the photocatalytic CO_(2)reduction activity of a layered structure Bi-based catalyst.

关键词： Surface chlorine atoms Charge distribution Reaction barriers Photocatalytic CO_(2)reduction Bi_(2)WO_(6)

Detachment Behavior of Gecko Toe in Functional Strategies for Bionic Toe

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Journal of Bionic Engineering 2024年第2期21卷 707-717页

作者： Qingfei Han Wei Wang Huan Shen Xincheng Feng Haoran Zhang qian Li yi Sun Huapeng Wu Aihong Ji Lab of Locomotion Bioinspiration and Intelligent Robots College of Mechanical and Electrical EngineeringNanjing University of Aeronautics and AstronauticsNanjing210016China Laboratory of Intelligent machines School of Energy SystemsLappeenranta-Lahti University of Technology53850LappeenrantaFinland State Key Laboratory of Mechanics and Control for Aerospace Structures Nanjing University of Aeronautics and AstronauticsNanjing210016China

Geckos can efficiently navigate complex terrains due to their multi-level adhesive system that is present on their *** setae are responsible for the gecko’s extraordinary adhesion and have garnered wide attention from the scientific *** majority of the reported works in the literature that have dealt with the peeling models mainly focus on the gecko hierarchical adhesive system,with limited attention given to investigating the influence of gecko toe structure on the *** these lines,to gain a deeper understanding of the rapid and effortless detachment abilities of gecko toes,the peeling behavior of gecko toes on vertical surfaces was primarily investigated in this *** specifically,the detachment time of a single toe on a smooth acrylic plate was measured to be 0.41±0.21 ***,it was observed that the toe assumed a"U"-shaped structure upon complete ***,Finite Element Analysis(FEA)models for three different types of gecko toes were developed to simulate both the displacement-peel and the moment-peel *** the segmentation of the adhesive layer led to a gradual decrease in the resultant force,as well as the normal and tangential ***,a gecko-inspired toe model was constructed and powered by Shape Memory Alloy(Sma).A systematic comparison between the vertical drag separation and the outward flip separation was also *** our analysis,it was clearly demonstrated that outward peel separation significantly necessitated the reduction of the peeling force,thus confirming the advantageous nature of the outward motion in gecko toe *** data not only contribute to a deeper understanding of the gecko detachment behavior but also offer valuable insights for the advancement of the wall-climbing robot feet.

关键词： Gecko toes Detachment behavior Finite element analysis Gecko-inspired toe

Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface:A First‑Principles Study

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Nano-Micro Letters 2024年第6期16卷 180-191页

作者： Xiaoyu Liu yiming Guo Fanghua Ning Yuyu Liu Siqi Shi qian Li Jiujun Zhang Shigang Lu Jin yi Institute for Sustainable Energy&Department of Chemistry Shanghai UniversityShanghai 200444People’s Republic of China School of materials Science and Engineering Shanghai UniversityShanghai 200444People’s Republic of China College of materials Science and Engineering National Engineering Research Center for Magnesium AlloysChongqing UniversityChongqing 400044People’s Republic of China

Hydrogen evolution reaction(HER)has become a key factor affecting the cycling stability of aqueous Zn-ion batteries,while the corresponding fundamental issues involving HER are still ***,the reaction mechanisms of HER on various crystalline surfaces have been investigated by first-principle calculations based on density functional *** is found that the Volmer step is the ratelimiting step of HER on the Zn(002)and(100)surfaces,while,the reaction rates of HER on the Zn(101),(102)and(103)surfaces are determined by the Tafel ***,the correlation between HER activity and the generalized coordination number(CN)of Zn at the surfaces has been *** relatively weaker HER activity on Zn(002)surface can be attributed to the higher CN of surface Zn *** atomically uneven Zn(002)surface shows significantly higher HER activity than the flat Zn(002)surface as the CN of the surface Zn atom is *** CN of surface Zn atom is proposed as a key descriptor of HER *** the CN of surface Zn atom would be a vital strategy to inhibit HER on the Zn anode surface based on the presented theoretical ***,this work provides a theoretical basis for the in-depth understanding of HER on the Zn surface.

关键词： Aqueous Zn-ion battery Zn anode Hydrogen evolution reaction Coordination number First-principles calculation

Photo-thermal synergistic excitation:Feasible strategy to detect ethanol for wide bandgap ZIF-8at low work temperature

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Journal of Environmental Sciences 2024年第4期138卷 112-120页

作者： Shuhao Shi qian Du Ming Hou Xiaolei Ye Li Yang Shenghui Guo Jianhong yi Ullah Ehsan Hongbo Zeng State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization Faculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093China Department of Chemical and materials Engineering University of AlbertaEdmonton T6G 2V4Canada FEMTO-ST Institute(UMR CNRS 6174) Universite de Bourgogne Franche-Comte(UBFC)Universite de technologie de Belfort Montbéliard(UTBM)Site de MontbeliardBelfort F-90010France Faculty of materials Science and Engineering Kunming University of Science and TechnologyKunming 650093China

Zeolitic Imidazolate Framework-8(ZIF-8)material was prepared by chemical precipitation *** microstructure and physical properties of the as-prepared samples were characterized by XRD,BET,FESEM and UV *** self-made four-channel measurement device was used to test the gas sensitivity of ZIF-8 material toward ethanol gas under photo-thermal synergistic *** results showed that the sample was typical ZIF-8(E_(g)=4.96 eV)with a regular dodecahedron shape and the specific surface is up to 1793 m^(2)/*** as-prepared ZIF-8 has a gas response value of 55.04 to 100 ppm ethanol at 75℃ and it shows good gas sensing selectivity and repeated *** excellent gas sensitivity can be attributed to the increase of free electron concentration in the ZIF-8 conduction band by photo-thermal synergistic excitation,and the large specific surface area of ZIF-8 material provides more active sites for gas-solid surface *** reaction mechanism of ZIF-8 material under multi-field excitation was also discussed.

关键词： ZIF-8 material Photo-thermal synergistic excitation UV-light irradiation Photon-generated electron and hole Gas-sensitive property

Toxicity of the disinfectant benzalkonium chloride(C_(14))towards cyanobacterium Microcystis results from its impact on the photosynthetic apparatus and cell metabolism

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Journal of Environmental Sciences 2024年第1期135卷 198-209页

作者： Yunlu Jia yi Huang Jin ma Shangwei Zhang Jin Liu Tianli Li Lirong Song Institute of Hydrobiology Chinese Academy of SciencesWuhan 430072China School of Environmental Studies China University of GeosciencesWuhan 430074China Advanced Interdisciplinary Institute of Environment and Ecology Beijing Normal UniversityZhuhai 519087China

Quaternary ammonium compounds(QACs)are commonly used in a variety of consumer and commercial products,typically as a component of *** the COVID-19 pandemic,QACs became one of the primary agents utilized to inactivate the SARS CoV-2 virus on ***,the ecotoxicological effects of QACs upon aquatic organisms have not been fully *** this study,we examined the effects of a widely used QAC(benzalkonium chloride-C_(14),BAC-14)on two toxigenic Microcystis strains and one non-toxigenic freshwater Microcystis strain and carried out an analysis focused on primary,adaptive and compensatory stress responses at apical(growth and photosynthesis)and metabolic *** analysis revealed that the two toxic Microcystis strains were more tolerant than the non-toxic strain,with 96 hr-EC_(50)values of 0.70,0.76,and 0.38 mg/L BAC-14 for toxigenic *** FACHB-905,toxigenic *** FACHB-469,and non-toxigenic *** FACHB-908,*** photosynthetic activities of the Microcystis,assessed via F_(v)/F_(m) values,were significantly suppressed under 0.4 mg/L ***,this analysis revealed that BAC-14 altered 14,12,and 8 metabolic pathways in *** FACHB-905,*** FACHB-469,and *** FACHB-908,*** is noteworthy that BAC-14 enhanced the level of extracellular microcystin production in the toxigenic Microcystis strains,although cell growth was not significantly ***,these data show that BAC-14 disrupted the physiological and metabolic status of Microcystis cells and stimulated the production and release of microcystin,which could result in damage to aquatic systems.

关键词： Disinfectants Quaternary ammonium compounds Microcystis Cyanotoxin Metabolomics Chlorophyll fluorescence

Adaptable "bubble particles" prepared by green aqueous phase reshaping for completely removing odor

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Nano Research 2024年第3期17卷 2172-2180页

作者： Jiajia ma yichang Xia Tienan Zhao Wenfeng Hu Weifeng Zhang Qinfei Ke yi Zhao Shanghai Frontiers Science Center of Advanced Textiles Donghua UniversityShanghai 201620China Engineering Research Center of Technical Textiles Ministry of EducationDonghua UniversityShanghai 201620China School of Fashion Engineering Central Laboratory Shanghai University of Engineering ScienceShanghai 201620China Department of materials Science and Engineering National University of SingaporeSingapore 117575Singapore School of Perfume and Aroma Technology Shanghai Institute of TechnologyShanghai 201418China

Facile and ecofriendly loading of micro/nano function-specific substances to create functional materials is a trend being pursued by ***,current micro/nano particles loading approaches are often hindered by issues such as uneven distribution,unsatisfactory stability and complicate *** this work,we present an aqueous phase reshaping method that only utilizes the moisture to fabricate the"bubble particles",which could perfectly cater to the topography of the *** green preparation of bubble particles adopts an absolutely zero-pollution method,realizing the firm loading of particles on the *** the preparation and loading of particles overcomes the traditional complicate process,while the aqueous phase reshaping ensures uniform and firm loading of the"bubble particles"onto the *** mechanism demonstrates a significant enhancement in the interface relation after aqueous phase reshaping,with a 121-fold increase in contact surface area achieved by reducing the height by 1μ***,we explore for the first time the influence of the nature of the receiving substrate on the interface morphology of particles during electrostatic spraying,which has important guiding significance for the interface relationship of electrostatic spraying and even electrostatic spinning *** also screen out the natural antibacterial essential oil linalool as the effective specialized antibacterial agent,which can specifically inhibit the odor-producing Proteus in urine,with an antibacterial rate of up to 100%.Taken together,this simple,ecofriendly method for fabricating functional materials with optimal interface stability appears highly promising for use in various products formed by electrostatic spraying/spinning.

关键词： bubble particle electrostatic spraying aqueous phase reshaping interface bonding remove odor nano spraying

Enhancing Data Forwarding Efficiency in SIoT with Multidimensional Social Relations

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Computers, materials & Continua 2024年第1期78卷 1095-1113页

作者： Fang Xu Songhao Jiang yi ma manzoor Ahmed Zenggang Xiong Yuanlin Lyu School of Computer and Information Science Hubei Engineering UniversityXiaogan432000China School of Computer Science and Information Engineering Hubei UniversityWuhan430062China Artificial Intelligence Industrial Technology Research Institute Hubei Engineering UniversityXiaogan432000China

Effective data communication is a crucial aspect of the Social Internet of Things(SIoT)and continues to be a significant research *** paper proposes a data forwarding algorithm based on Multidimensional Social Relations(MSRR)in SIoT to solve this *** proposed algorithm separates message forwarding into intra-and cross-community forwarding by analyzing interest traits and social connections among *** new metrics are defined:the intensity of node social relationships,node activity,and community *** the community,messages are sent by determining which node is most similar to the sender by weighing the strength of social connections and node *** a node performs cross-community forwarding,the message is forwarded to the most reasonable relay community by measuring the node activity and the connection between *** proposed algorithm was compared to three existing routing algorithms in simulation *** indicate that the proposed algorithmsubstantially improves message delivery efficiency while lessening network overhead and enhancing connectivity and coordination in the SIoT context.

关键词： SIoT data forwarding social attributes social relations community

Non-destructive method of small sample sets for the maize moisture content measurement during filling based on NIRS

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International Journal of Agricultural and Biological Engineering 2024年第4期17卷 236-244页

作者： Tiemin ma Guangyue Zhang Xue Wang Shujuan yi Changyuan Wang College of Information and Electrical Engineering Heilongjiang Bayi Agricultural UniversityDaqing 163319HeilongjiangChina Daqing Center of Inspection and Testing for Agricultural Products and Processed Products Ministry of Agriculture Daqing 163319HeilongjiangChina Heilongjiang Province Research Center of Ecological Rice Seedling Raising Device and Whole Course Mechanized Engineering Technology Daqing 163319HeilongjiangChina College of Engineering Heilongjiang Bayi Agricultural UniversityDaqing 163319HeilongjiangChina

In maize breeding,limitations on sampling quantity and associated costs for measuring maize grain moisture during filling are imposed by factors like the planting area of new varieties,maize plant density,effective experimental spikes,and other ***,the conventional method of detecting moisture content in maize grains is slow,damages seeds,and necessitates many sample sets,particularly for high moisture content ***,a strong demand exists for a non-destructive quantitative analysis model of maize moisture content using a small sample set during grain *** Bayes-Merged-Bootstrap(BMB)sample optimization method,which built upon the Bayes-Bootstrap sampling method and the concept of merging,was proposed.A critical concern in dealing with small samples is the relationship between data distribution,minimum sample value,and sample size,which has been thoroughly *** to the Bayes-Bootstrap sample selection method,the BMB method offers distinct advantages in the optimized selection of small samples for non-destructive *** quantitative analysis model for maize grain moisture content was established based on the support vector machine *** demonstrate that when the optimal resampling size is 1000 times or more than the original sample size using the BMB method,the model exhibits strong predictive capabilities,with a determination coefficient(R2)>0.989 and a relative prediction determination(RPD)>*** results of the 3 varieties experiment demonstrate the generality of the ***,it can be applied effectively in practical maize breeding and determining grain moisture content during maize machine harvesting.

关键词： near-infrared spectroscopy moisture content quantitative analysis small samples optimized maize grain during the filling stage

Evolution exploration and structure prediction of Keggin-type group IVB metal-oxo clusters

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Chinese Chemical Letters 2024年第5期35卷 487-492页

作者： Run-Han Li Tian-yi Dang Wei Guan Jiang Liu Ya-qian Lan Zhong-Min Su School of Chemistry South China Normal UniversityGuangzhou 510006China Institute of Functional material Chemistry Faculty of ChemistryNortheast Normal UniversityChangchun 130024China Institute of Theoretical Chemistry Jilin UniversityChangchun 130023China

The fascinating chemical structure and broad application prospect of Keggin-type polyoxometalates(POMs)have attracted many chemists to explore and discover *** the traditional Keggin,larger metal atomic radius,higher metal coordinated numbers,lower metal valence states and other features allow the group IVB metal-based Keggin(IVB-Keggin)more space and unknown in terms of structure and ***,density functional theory(DFT)calculations were performed to explore the influences including cores,shells,caps,and terminal ligands,et *** IVB-Keggin,and analyze the possibility of novel structure *** the perspective of multi-layer onion-like clusters,molecular energy level,host-guest interaction energy,surface charge and covalent bond polarity can be further adjusted to achieve the oriented design of functional *** insights are expected to provide theoretical support for experimental synthesis,opening a new perspective to understand the growth of Keggin.

关键词： Keggin Metal-oxo clusters Group IVB Onion pattern DFT