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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

Landslide susceptibility mapping(LSM)based on different boosting and hyperparameter optimization algorithms:A case of Wanzhou District,China

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Journal of Rock Mechanics and Geotechnical engineering 2024年第8期16卷 3221-3232页

作者： Deliang Sun Jing Wang Haijia Wen YueKai Ding Changlin Mi Key Laboratory of GIS Application Research Chongqing Normal UniversityChongqing 401331China Key Laboratory of new Technology for Construction of Cities in Mountain Area Ministry of EducationChongqing UniversityChongqing 400045China National Joint engineering Research center of Geohazards Prevention in the Reservoir Areas Chongqing UniversityChongqing 400045China School of Civil engineering Chongqing UniversityChongqing 400045China Natural Resources Development Service center of Linyi Linyi 276000China

Boosting algorithms have been widely utilized in the development of landslide susceptibility mapping(LSM)***,these algorithms possess distinct computational strategies and hyperparameters,making it challenging to propose an ideal LSM *** investigate the impact of different boosting algorithms and hyperparameter optimization algorithms on LSM,this study constructed a geospatial database comprising 12 conditioning factors,such as elevation,stratum,and annual average *** XGBoost(XGB),LightGBM(LGBM),and CatBoost(CB)algorithms were employed to construct the LSM ***,the Bayesian optimization(BO),particle swarm optimization(PSO),and Hyperband optimization(HO)algorithms were applied to optimizing the LSM *** boosting algorithms exhibited varying performances,with CB demonstrating the highest precision,followed by LGBM,and XGB showing poorer ***,the hyperparameter optimization algorithms displayed different performances,with HO outperforming PSO and BO showing poorer *** HO-CB model achieved the highest precision,boasting an accuracy of 0.764,an F1-score of 0.777,an area under the curve(AUC)value of 0.837 for the training set,and an AUC value of 0.863 for the test *** model was interpreted using SHapley Additive exPlanations(SHAP),revealing that slope,curvature,topographic wetness index(TWI),degree of relief,and elevation significantly influenced landslides in the study *** study offers a scientific reference for LSM and disaster prevention *** study examines the utilization of various boosting algorithms and hyperparameter optimization algorithms in Wanzhou *** proposes the HO-CB-SHAP framework as an effective approach to accurately forecast landslide disasters and interpret LSM ***,limitations exist concerning the generalizability of the model and the data processing,which require further exploration in subsequent studies.

关键词： Landslide susceptibility Hyperparameter optimization Boosting algorithms SHapley additive exPlanations(SHAP)

Hydration Behavior and Cementitious Properties of Calcium Carbonate-aluminate Minerals Composite

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Journal of Wuhan University of Technology(materials Science) 2024年第1期39卷 126-133页

作者：王冲周帅 ZOU Luyao LIU Jiawen ZHENG Yalin College of materials Science and engineering Chongqing UniversityChongqing 400045China China West Construction Group Co. Ltd.Chengdu 610015China

The purpose of this research is to investigate the hydration behavior and cementitious properties of the mixture of calcium carbonate and aluminate, and to explore whether it can be adopted as a new low-carbon cementitious material. The composite system of calcium carbonate and aluminate minerals is studied by measuring the component of hydration products, the hydration heat, setting time and compressive *** results prove that the composite system has certain cementitious properties and is feasible to prepare new low-carbon cement.

关键词： limestone hydrated calcium carboaluminate cementitious properties mechanical properties

A Robust N-Terminal Pro-Brain Natriuretic Peptide Assay for Clinical Diagnosis of Heart Failure in Elderly Patients

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Journal of Analysis and Testing 2024年第1期8卷 74-82页

作者： Xue Gong Jiangling Wu Jiajia Zhang Zhongwei Jiang Yi Wang Pu Zhang engineering Research center for Biotechnology of Active Substances(Ministry of Education) Chongqing Key Laboratory of Green Synthesis and ApplicationsCollege of ChemistryChongqing Normal UniversityChongqing 401331China chongqing Research center for Pharmaceutical engineering College of PharmacyChongqing Medical UniversityChongqing 400016China Department of Clinical Laboratory University Town Hospital of Chongqing Medical UniversityChongqing 401331China

Heart failure(HF)is a clinical hallmark of cardiovascular syndrome leading to substantial morbidity,repeated hospitalization,and enormous healthcare *** elderly populations continue to increase,biomarker-guided diagnosis and treatment for age-related cardiac decline have become *** evidence demonstrates that N-terminal proBNP(NT-proBNP)can provide a unique window into the diagnosis and risk stratification with ***,a simple yet robust aptasensor is developed for on-site recognizing the NT-proBNP by its targeting aptamer,thus achieving the accurate diagnosis of *** aptasensing system is prepared by absorbing the fluorophore-labeled aptamer strand onto the graphene oxide(GO),leading to efficient quenching without possible off-site signal *** aptamer strand can specifically identify target NT-proBNP molecules via a versatile conformational transformation,resulting in the desorption of the aptamer-NTproBNP complexes from GO and re-generation fluorescence signal,thus allowing sensitive detection of NT-proBNP in 37 clinical blood *** advantage of the high specificity of aptamer-guaranteed recognitions of NT-proBNP,this aptasensor system readily achieves better diagnostic performance for HF than commercially adopted chemiluminescence immunoassay(Siemens,CLIA)in hospitals in terms of accuracy(89.2%vs 83.8%),specificity(89.5%vs 84.2%),and positive predictive value(88.9%vs 83.3%).This work provides a stable option for the diagnosis and treatment of elderly HF-related diseases inclinics.

关键词： NT-proBNP Graphene oxide Aptamer Heart failure Clinical diagnosis

Bottom-up construction of low-dimensional perovskite thick films for high-performance X-ray detection and imaging

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Light(Science & Applications) 2024年第9期13卷 1809-1819页

作者： Siyin Dong Zhenghui Fan Wei Wei Shujie Tie Ruihan Yuan Bin Zhou Ning Yang Xiaojia Zheng Liang Shen Sichuan Research center of new materials Institute of Chemical MaterialsChina Academy of Engineering PhysicsShuangliuChengduChina State Key Laboratory of Integrated Optoelectronics College of Electronic Science and EngineeringInternational Center of Future ScienceJilin UniversityChangchunChina

Quasi-two-dimensional(Q-2D)perovskite exhibits exceptional photoelectric properties and demonstrates reduced ion migration compared to 3D perovskite,making it a promising material for the fabrication of highly sensitive and stable X-ray ***,achieving high-quality perovskite films with sufficient thickness for efficient X-ray absorption remains ***,we present a novel approach to regulate the growth of Q-2D perovskite crystals in a mixed atmosphere comprising methylamine(CH3NH2,MA)and ammonia(NH3),resulting in the successful fabrication of high-quality films with a thickness of hundreds of ***,we build a heterojunction X-ray detector by incorporating the perovskite layer with titanium dioxide(TiO2).The precise regulation of perovskite crystal growth and the meticulous design of the device structure synergistically enhance the resistivity and carrier transport properties of the X-ray detector,resulting in an ultrahigh sensitivity(29721.4μC Gyair−1 cm−2)for low-dimensional perovskite X-ray detectors and a low detection limit of 20.9 nGyair s−*** have further demonstrated a flat panel X-ray imager(FPXI)showing a high spatial resolution of 3.6 lpmm−1 and outstanding X-ray imaging capability under low X-ray *** work presents an effective methodology for achieving high-performance Q-2D perovskite FPXIs that holds great promise for various applications in imaging technology.

关键词： perovskite dimensional performance

Layer-by-layer assembly of chitosan and carbon nanotube on cotton fabric for strain and temperature sensing

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Journal of materials Science & Technology 2024年第6期173卷 114-120页

作者： Ye-Xin Zhang Yi-Dong Li An-Ke Du Yuanpeng Wu Jian-Bing Zeng chongqing Key Laboratory of Soft-Matter Material Chemistry and Function Manufacturing School of Chemistry and Chemical EngineeringSouthwest UniversityChongqing 400715China chongqing Academy of Science and Technology Chongqing 401123China School of new Energy and materials State Key Laboratory of Oil and Gas Reservoir Geology and ExploitationSouthwest Petroleum UniversityChengdu 610500China

Layer-by-layer(LBL)assembly shows great potential in fabrication of flexible conductive cotton fabrics(FCCF)with carbon nanotubes(CNT)as conductive components but is limited because complicated chemical modification of CNT is usually ***,we reported a facile and eco-friendly LBL approach to fabricating FCCF by dipping in chitosan(CS)aqueous solution and poly(sodium 4-styrenesulfonate)(PSS)wrapped CNT aqueous dispersion *** FCCF with electrical conductivity higher than 30 S/m was achieved when 4 layers of CNT were coated on the cotton fabric(CF).The obtained FCCF possessed outstanding mechanical stability with electrical resistivity almost unchanged after exposure to 500 times mechanical abrasion and 500 circles of tape *** FCCF showed excellent strain sensing performance with high sensitivity(with a gauge factor up to 35.1)and a fast response time(70 ms).It can be used as a strain sensor to accurately detect various human deformations such as finger bending and joint *** FCCF could be used as a temperature sensor in that it exhibited stable and reproducible negative temperature sensing behavior in the temperature range of 30-100℃.

关键词： Flexible conductive cotton fabric Layer-by-layer Temperature sensing Strain sensing

EBSD analysis of grain boundary evolution and dynamic recrystallization of Inconel 625 superalloy at various hot spinning feed rates

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Progress in Natural Science:materials International 2024年第1期34卷 56-65页

作者： Zhanjie Jing Jiangkun Fan Xudong Liu Yuelin Song Zixiao Wang Kai Cao Yuetan Chen Heng Fu Jianing Zhang Jinshan Li State Key Laboratory of Solidification Processing Northwestern Polytechnical University chongqing Innovation center Northwestern Polytechnical University National&Local Joint engineering Research center for Precision Thermoforming Technology of Advanced Metal materials

Hot spinning can make the material withstand shear stress, so that the shape of the material has a great change,which is one of the main processing methods of nickel-based alloy plate members. Inconel 625 alloy, which has excellent high temperature mechanical properties and can be used as the main candidate material for aerospace applications, needs further study on its hot spinning deformation behavior and deformation mechanism. In this paper, the effect of feed rate on the microstructure evolution of Inconel 625 superalloy was studied by the electron backscattered diffraction technology. The microstructure with necklace-like structures composed of dynamic recrystallization(DRX) grains was observed after hot spinning. It was found that at the low feed rate, the promotion of DRX degree and grain refinement happened, where the grain size reached the trough of 10.99 μm under a feed rate of 300 mm/min. However, with the further feed rate rising, the degree of DRX was suppressed to a certain extent and grain size increased to 14.26 μm. On balance, the feed rate of 300 mm/min was the most efficient condition for grain refinement. Besides, it was revealed that both discontinuous dynamic recrystallization(DDRX) and continuous dynamic recrystallization(CDRX) occurred during hot spinning. DDRX includes the initial grain boundary nucleation by bulging and the annealing twin boundary assisted nucleation, while the CDRX mechanism is related to the continuous subgrain rotation within the deformed grain. DDRX is the main DRX mechanism.

关键词： Inconel 625 superalloy Hot spinning Grain boundary evolution DRX mechanism

Impact pressure of waves generated by landslides on bank slopes

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Journal of Mountain Science 2024年第3期21卷 918-931页

作者： CAO Ting WANG Pingyi QIU Zhenfeng LIU Jie Key Laboratory of Hydraulic and Waterway engineering of Ministry of Education Chongqing Jiaotong UniversityChongqing 400074China engineering Research center of Diagnosis Technology and Instruments of Hydro-Construction Chongqing Jiaotong UniversityChongqing 400074China

Impulse waves that are generated by landslides in narrow reservoir areas threaten the stability of buildings and bank *** discuss the action process and evolution law of the wave pressure on bank slopes,a three-dimensional physical model test that considers impulse waves generated by landslides was performed,and factors including landslide width,thickness,slope angles of the sliding surface,and bank slope angle were *** on wave forms on the bank slopes,wave pressure curve characteristics,and peak value,the action process of wave pressure could be divided into the following stages:maximum pulsating pressure stage,wave impact stage(when waves break),and stationary pulsation *** was found that wave breaking is dependent on the value of the surf similarity parameterξ.The distribution pattern of impact pressure decays linearly on both sides of the maximum impact pressure point,and the attenuation degree decreases when it attains 40%of the maximum ***,it is proposed that the prediction formula for the maximum effective impact pressure of the bank slope be related to the reciprocal of wave steepness,relative water depth,and slope *** prediction formula provides strong theoretical support for early safety warning and for predicting the bank slope under impulse waves generated by landslides.

关键词： Model test Impact pressure Action stage Breaking discrimination Distribution model

Recycling the spent electronic materials to construct a highperformance Cu_(1.94)S/ZnS heterostructure anode of sodium-ion batteries

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Nano Research 2024年第5期17卷 4006-4015页

作者： Xiaowei He Tianshuai Wang Lidong Tian Qiuyu Zhang School of Chemistry and Chemical engineering Xi’an Key Laboratory of Functional Organic Porous MaterialsKey Laboratory of Special Functional and Smart Polymer Materials of Ministry of Industry and Information TechnologyNorthwestern Polytechnical UniversityXi’an 710072China chongqing Science and Technology Innovation center of Northwestern Polytechnical University Chongqing 401135China College of materials Science and engineering Xi’an University Science and TechnologyXi’an 710054China

Heterostructure engineering by coupling different nanocrystals has received extensive attention because it can enhance the reaction kinetics of the anode of sodium-ion batteries(SIBs).However,constructing high-quality heterostructure anode materials through green and environmentally friendly methods remains a ***,we have proposed a simple one-step method by recycling the electronic waste metal materials to synthesize the Cu_(1.94)S/ZnS heterostructure *** with the experimental analysis and first principle calculations,we find that the synergistic effect of different components in heterostructure structures can significantly enhance the reversible capacity and rate performance of anode *** on the constructed Cu_(1.94)S/ZnS anode,we obtain a superior reversible capacity of 440 mAh·g^(-1) at 100 mA·g^(-1) and 335 mAh·g^(-1) after 3000 cycles at 2000 mA·g^(-1).Our work sheds new light on designing high-rate and capacity anodes for SIBs through the greenness synthesis method.

关键词： sodium-ion batteries heterostructure reversible capacity environmentally synthesis process