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Metal and ligand modification modulates the electrocatalytic HER,OER,and ORR activity of 2D conductive metal-organic frameworks

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Nano Research 2024年第9期17卷 7984-7990页

作者： Yanan Zhou Li sheng Lanlan Chen Wenhui zhao Wenhua Zhang Jinlong Yang School of Material Science and Chemical Engineering Institute of Mass SpectrometryNingbo UniversityNingbo 315211China Department of Chemical Physics University of Science and Technology of ChinaHefei 230026China Department of Material Science and Engineering University of Science and Technology of ChinaHefei 230026China Department of Physics Ningbo UniversityNingbo 315211China Hefei National Laboratory for Physical Sciences at the Microscale CAS Key Laboratory of Materials for Energy Conversion and Synergetic Innovation Centre of Quantum Information and Quantum PhysicsUniversity of Science and Technology of ChinaHefei 230026China

It is highly desirable to design efficient and stable hydrogen evolution reaction(HER)and oxygen evolution/reduction reaction(OER/ORR)electrocatalysts for the development of renewable energy ***,density functional theory(DFT)calculations were conducted to systematically investigate a series of TMN_(x)O_(4-x)-HTT(TM=Fe,Co,Ni,Ru,Rh,Pd,Ir and Pt;HTT=hexahydroxy tetraazanaphthotetraphene)analogs of two-dimensional(2D)conductive metal-organic frameworks(MOFs)as potential electrocatalysts for the HER,OER and *** thermodynamic and electrochemical stability simulations suggest that these designed catalysts are ***,CoO_(4)-HTT,RhN_(3)O_(1)-HTT and IrN3O1-HTT are predicted to be the most promising catalysts for the HER,OER and ORR,respectively,surpassing the catalytic activity of corresponding benchmark *** volcano plots were established based on the scaling relationship of adsorption Gibbs free energy of *** results reveal that regulating combinations of metal active centers and local coordination environments could effectively balance the interaction strength between intermediates and catalysts,thus achieving optimal catalytic *** findings not only opt for the promising HER/OER/ORR electrocatalysts but also guide the design of efficient electrocatalysts based on 2D MOFs materials.

关键词： hydrogen evolution reaction(HER) oxygen evolution/reduction reaction(OER/ORR) electrocatalysts design twodimensional(2D)conductive metal-organic frameworks(MOFs) density functional theory(DFT)

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Unbalanced private set intersection with linear communication complexity

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Science China(Information Sciences) 2024年第3期67卷 79-93页

作者： Quanyu zhao Bingbing JIANG Yuan ZHANG Heng WANG Yunlong MAO sheng ZHONG Department of Computer Science and Technology Nanjing University Purple Mountain Lab

The private set intersection(PSI) protocol allows two parties holding a set of integers to compute the intersection of their sets without revealing any additional information to each other. The unbalanced PSI schemes consider a specific setting where a client holds a small set of the size n and a server holds a much larger set of the size m(n ■ m). The communication overhead of state-of-the-art balanced PSI schemes is O(m + n) and the unbalanced PSI schemes are O(nlogm). In this paper, we propose a novel secure unbalanced PSI protocol based on a hash proof system. The communication complexity of our protocol grows only linearly with the size of the small set. In other words, our protocol achieves communication overhead of O(n). We test the performance on a personal computer(PC) machine with a local area network(LAN)setting for the network. The experimental results demonstrate that the client only takes 2.01 s of online computation, 4.27 MB of round trip communication to intersect 1600 pieces of 32-bit integers with 220pieces of 32-bit integers with the security parameter λ = 512. Our protocol is efficient and can be applied to resource-constrained devices, such as cell phones.

关键词： unbalanced private set intersection Hash proof system linear communication complexity small set resource-constrained devices

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Effect of cooling method on TiN precipitation behavior of high-titanium high-strength steel during solidification

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Journal of Iron and Steel Research International 2024年第7期31卷 1692-1703页

作者： Xue-jian Zhang Guang-wei Yang yong Wan yong-hong Wen Chuan-sheng Tang Ming-qi Liu Li-jie Tian Key Laboratory of Metallurgical Emission Reduction and Resources Recycling Anhui University of TechnologyMa'anshan 243002AnhuiChina School of Metallurgical Engineering Anhui University of TechnologyMa'anshan 243002AnhuiChina Baosteel Central Research Institute Baoshan Iron and Steel Co.Ltd.Shanghai 201999China

Metallographic microscopy,scanning electron microscopy and TiN growth thermodynamic and kinetic equations were used to investigate the morphology,quantity,and size of TiN in the center of high-titanium high-strength steels under different solidification cooling *** results showed that TiN in the center of the experimental steels mainly existed in three forms:single,composite(Al2O3-TiN),and multi-particle *** began precipitating at around 1497℃(solidification fraction of 0.74).From the end of melting to solidification for 180 s,the cooling rates in the center of the experimental steels for furnace cooling,air cooling,refractory mold cooling,and cast iron mold cooling tended to stabilize at 0.17,0.93,1.65,and 2.15℃/s,*** size of TiN in the center of the experimental steel cooled using furnace cooling was mainly concentrated in the 5-15 pm *** contrast,the size of TiN in the center of the experimental steels cooled using air cooling,refractory mold cooling,and cast iron mold cooling were mainly concentrated in the 1-5 pm *** addition,their density of TiN in the center of the experimental steels is signif-icantly higher than that of the furnace-cooled experimental *** and kinetic precipitation models of TiN established predicted the growth size of TiN in a high-titanium high-strength steel when the solidification cooling rates are not below 0.93℃/s.

关键词： High-titanium steel Cooling method TiN Thermodynamics Kinetics

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Oxidation behavior of low-grade vanadiferous titanomagnetite concentrate with high titanium

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Journal of Iron and Steel Research International 2024年第2期31卷 329-341页

作者： Jin-sheng Liu Zhen-xing Xing Gong-jin Cheng Xue-yong Ding Xiang-xin Xue School of Metallurgy Northeastern UniversityShenyang110819LiaoningChina Liaoning Key Laboratory of Recycling Science for Metallurgical Resources Shenyang110819LiaoningChina Innovation Research Institute of Vanadium and Titanium Resource Industry Technology Northeastern UniversityShenyang110819LiaoningChina

In order to clarify the oxidation mechanisms and make better use of the low-grade vanadiferous titanomagnetite concentrate with high titanium(LVTC),the oxidation behavior of LVTC was *** results showed that oxidation degree was achieved within 90 min when temperature was not lower than 700°C,and the main phases of the oxidized LVTC consisted of Fe9TiO15,Fe2O3,CaSiTiO5 and a small amount of *** temperature is favorable to the formation of *** surface of LVTC gradually becomes rough,with fine particles of needle-like and granular shape appearing on the surface,which finally turn from laminar to creamy,spread out,and are interspersed with many tiny *** phase oxidation paths in LVTC were as follows:(1)Fe2.75Ti0.25O4→Fe9TiO15+Fe2O3;(2)Fe2.75Ti0.25O4→Fe2O3+FeTiO3→Fe2TiO5;(3)FeTiO3→Fe2O3+Fe2Ti3O9→*** is predominantly mesoporous whether oxidized or not,with the pores mainly distributed in the range of 2–40 nm,and the specific surface area of LVTC decreases significantly with increasing temperature.

关键词： Low-grade vanadiferous titanomagnetite concentrate Oxidation degree Phase transformation Micromorphology Oxidation path Pore structure

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Optimal V_(2)O_(3) extraction by sustainable vanadate electrolysis in molten salts

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Tungsten 2024年第1期6卷 141-149页

作者： Bao-Yan Feng Zhong-Hua zhao yong-Zheng Jia Jia-Liang An Ming-yong Wang State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China Beijing Key Laboratory of Green Recovery and Extraction of Rare and Precious Metals University of Science and Technology BeijingBeijing 100083China

Recently,an environmentally friendly electrolysis process of soluble vanadates is proposed and successfully confirmed for V_(2)O_(3) *** this paper,the solubilities of various vanadates(***_(3),Na_(4)V_(2)O_(7) and Na_(3)VO_(4))in NaCl molten salt are *** dependences of V_(2)O_(3) extraction on vanadate form,anode material and molten salt system are studied.A long-term electrolysis is carried *** result indicates that the solubilities of all vanadates are high and meet electrolytic *** to Na_(4)V_(2)O_(7) and Na_(3)VO_(4),NaVO_(3) exhibits larger current efficiency and lower electricity *** using SnO_(2) anode instead of graphite anode,the current efficiency of NaVO_(3) electrolysis can be increased to 58.1%and carbon pollution is avoided at 700℃.The extraction rate of V_(2)O_(3) reaches 81.3%after long-term electrolysis of 51 *** work optimizes the electrochemical preparation process of V_(2)O_(3) from various vanadates and contributes to the improvement of current efficiency and extraction rate.

关键词： Molten salt electrolysis Vanadate Vanadium trioxide Current efficiency

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Progress in in-situ electrochemical nuclear magnetic resonance for battery research

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Magnetic Resonance Letters 2024年第2期4卷 13-21页

作者： yong Jiang Mengmeng zhao Zhangquan Peng Guiming Zhong Laboratory of Advanced Spectro-electrochemistry and Li-ion Batteries Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian116023China University of Chinese Academy of Sciences Beijing100049China Tianmu Lake Institute of Advanced Energy Storage Technologies Co. Ltd.Liyang213300China

A thorough understanding of the fundamental electrochemical and chemical processes in batteries is crucial to advancing energy density and power ***,the characterizations of such processes are ***-situ electrochemical nuclear magnetic resonance(EC-NMR)offers the capability to collect real-time data during battery operation,furnishing insights into the local structures and ionic dynamics of materials by monitoring changes in the chemical environment around the ***-NMR also has the advantages of being both quantitative and *** paper systematically reviews the design of EC-NMR approach,and delves into the applications and progress of EC-NMR concerning battery reaction mechanisms,failure mechanisms,and overall battery *** review culminates in a comprehensive summary of the perspective and challenges associated with EC-NMR.

关键词： In-situ NMR Reaction mechanism Failure mechanism Battery systems Ionic dynamics

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Regional Climate Damage Quantification and Its Impacts on Future Emission Pathways Using the RICE Model

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Advances in Atmospheric Sciences 2024年第9期41卷 1843-1852页

作者： Shili YANG Wenjie DONG Jieming CHOU yong ZHANG Weixing zhao Beijing Meteorological Observation Centre Beijing Meteorological BureauBeijing 100089China School of Atmospheric Sciences Sun Yat-sen UniversityZhuhai 519082China Southern Marine Science and Engineering Guangdong Laboratory Zhuhai 519082China Beijing Normal University Beijing 100101China CMA Institute for Development and Programme Design Beijing 100081China

This study quantified the regional damages resulting from temperature and sea level changes using the Regional Integrated of Climate and Economy(RICE)model,as well as the effects of enabling and disabling the climate impact module on future emission *** highlight varied damages depending on regional economic development and ***,China and Africa could suffer the most serious comprehensive damages caused by temperature change and sea level rise,followed by India,other developing Asian countries(OthAsia),and other high-income countries(OHI).The comprehensive damage fractions for China and Africa are projected to be 15.1%and 12.5%of gross domestic product(GDP)in 2195,with corresponding cumulative damages of 124.0 trillion and 87.3 trillion United States dollars(USD)from 2005 to 2195,***,the comprehensive damage fractions in Japan,Eurasia,and Russia are smaller and projected to be lower than 5.6%of GDP in 2195,with cumulative damages of 6.8 trillion,4.2 trillion,and 3.3 trillion USD,***,coastal regions like Africa,the European Union(EU),and OHI show comparable damages for sea level rise and temperature *** China,however,sea level-induced damages are projected to exceed those from temperature ***,this study indicates that switching the damage modules on or off affects the regional and global emission trajectories,but the magnitude is relatively *** 2195,global emissions under the experiments with all of the damage modules switched off,only the sea level damage module switched on,and only the temperature damage module switched on,were 3.5%,2.3%and 1.2%higher than those with all of the damage modules switched on,respectively.

关键词： climate damage integrated assessment model carbon emissions sea level rise temperature change

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Spectral Selectivity of CdTe Cells with Substrate Configuration for Photovoltaic/Thermal Applications

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Journal of Thermal Science 2024年第4期33卷 1542-1553页

作者： CHEN Ken HU Kongfu zhao Bin CHEN Tao HAO yong PEI Gang Department of Thermal Science and Energy Engineering University of Science and Technology of ChinaHefei230027China Key Laboratory of Solar Thermal Conversion of Anhui Province Hefei230027China Hefei National Laboratory for Physical Sciences at Microscale Department of Materials Science and EngineeringUniversity of Science and Technology of ChinaHefei230026China Institute of Engineering Thermophysics Chinese Academy of SciencesBeijing100190China University of Chinese Academy of Sciences Beijing100049China

Existing photovoltaic cells with high infrared emissivity generate huge radiative heat loss in photovoltaic/thermal applications and degrade the photothermal *** purpose of this work is to evaluate the full spectral absorptivity of CdTe cells to find a spectrally selective photovoltaic cell for photovoltaic/thermal *** this end,the solar absorptivity and mid-infrared thermal emissivity of CdTe cells were tested by ellipsometry,UV-Vis-NIR spectrophotometer,and Fourier transform infrared *** experimental results show that the AM 1.5 solar spectrum weighted absorptivity of the substrate configuration CdTe cell reaches 0.91,and the mid-infrared emissivity is only 0.29,while the superstrate configuration cell emissivity is as high as *** research shows that substrate configuration with a transparent conductive layer on top can be flexibly grown on metal foils and has spectral selectivity with high solar absorptivity and low mid-infrared emissivity should be considered in the future for photovoltaic/thermal applications.

关键词： photovoltaic/thermal spectral selectivity substrate configuration CdTe cell ITO

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A method for support stiffness failure identification in a steel spring floating slab track of urban railway: a case study in China

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Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2024年第3期25卷 206-222页

作者： Junyuan ZHENG Caiyou zhao Duojia SHI Ping WANG Jian WANG Bolong JIANG Xi sheng Key Laboratoryof High-speed Railway Engineering Ministry of EducationSouthwest Jiaotong UniversityChengdu 60031China School of Civil Engineering Southwest Jiaotong UniversityChengdu 610031China 01 DYNA(Qingdao)Test&Data Co. Ltd.Qingdao 266000China Rail Transit Digital Construction and Measurement Technology National Engineering Research Center China Railway Design CorporationTianjin300308China Institute of Urban Smart Transportation&Safety Maintenance Shenzhen UniversityShenzhen 518060China

The extensive use of steel spring floating slab tracks has effectively addressed the challenge of alleviating the environmental vibrations induced by urban rail transit ***,under the combined action of train dynamic loads and complex environmental factors,problems,such as the fracture of steel spring vibration isolators and suspension vibrations induced by the uneven settlement of the base,often *** failure of isolator support stiffness is often hidden in its early stages and is challenging to identify by conventional detection *** the same time,it will aggravate the wheel-rail interaction,accelerate the deterioration of track structure,and even affect the driving *** study first establishes a detailed coupled train-floating slab track-foundation analytical *** the influence of the vibration isolator support stiffness failure on the dynamic indices of the floating slab track system response is analyzed.A set of defect identification methods that can detect the number of failed steel springs,severity of damage,and their location is ***,an intelligent monitoring system for support stiffness of floating slab track is built by combining the density-based spatial clustering of applications with noise algorithm and statistical data analysis and is applied to a rail line in southern *** a three-year monitoring campaign,a suspension failure and a fracture of a steel spring were each successfully detected and detailed failure information was *** investigation results were consistent with the damage identification *** repair,the track structure dynamic response returned to the average pre-damage level and further deterioration had been *** proposed damage identification methods and monitoring system provide an approach for intelligent identification of track structure support stiffness failures.

关键词： Floating slab track Support stiffness Detailed analytical model Failure identification Monitoring system

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Microphase Separation of Semiflexible Ring Diblock Copolymers

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Chinese Journal of Polymer Science 2024年第2期42卷 267-276,I0011页

作者： Dan-Yan Qin sheng-Da zhao Zhi-Xin Liu Jing Zhang Xing-Hua Zhang School of Physical Science and Engineering Beijing Jiaotong UniversityBeijing100044China

Aiming at the difficult problem of solving the conformation statistics of complex polymers, this study presents a novel and concise conformation statistics theoretical approach based on Monte Carlo and Neural Network method. This method offers a new research idea for investigating the conformation statistics of complex polymers, characterized by its simplicity and practicality. It can be applied to more complex topological structure, more higher degree of freedom polymer systems with higher dimensions, theory research on dynamic self-consistent field theory and polymer field theory, as well as the analysis of scattering experimental data. The conformation statistics of complex polymers determine the structure and response properties of the system. Using the new method proposed in this study, taking the semiflexible ring diblock copolymer as an example, Monte Carlo simulation is used to sample this ring conformation to construct the dataset of polymer. The structure factor describing conformation statistics are expressed as continuous functions of structure parameters by neural network supervised learning. This is the innovation of this work. As an application, the structure factors represented by neural networks were introduced into the random phase approximation theory to study the microphase separation of semiflexible ring diblock copolymers. The influence of the ring's topological properties on the phase transition behavior was pointed out.

关键词： Ring copolymer Diblock copolymers Semiflexible The order-disorder transition

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