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Mechanistic insight into the synergy between nickel single atoms and nanoparticles on N-doped carbon for electroreduction of CO2

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Journal of Energy Chemistry 2025年第1期100卷 327-336页

作者： Mingdong Sun Wenwen Guan Cailing Chen Chao Wu Xiaoling Liu Biao Meng Tao Chen Yu Han Jun Wang Shibo Xi Yu Zhou State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical Engineering Nanjing Tech University Advanced Membranes and Porous Materials Center Physical Sciences and Engineering Division King Abdullah University of Science and Technology Institute of Sustainability for Chemicals Energy and Environment A*STAR (Agency for Science Technology and Research) College of Materials Science and Engineering Sichuan University

The synergy of single atoms （SAs） and nanoparticles （NPs） has demonstrated great potential in promoting the electrocatalytic carbon dioxide reduction reaction （CO2RR）;however,the rationalization of the SAs/NPs proportion remains one challenge for the catalyst ***,a Ni2+-loaded porous poly（ionic liquids）(PIL) precursor synthesized through the free radical self-polymerization of the ionic liquid monomer,1-allyl-3-vinylimidazolium chloride,was pyrolyzed to prepare the Ni,N co-doped carbon materials,in which the proportion of Ni SAs and NPs could be facilely modulated by controlling the annealing *** catalyst Ni-NC-1000 with a moderate proportion of Ni SAs and NPs exhibited high efficiency in the electrocatalytic conversion of CO2into *** Ni K-edge X-ray absorption near-edge structure （XANES） spectra and theoretical calculations were conducted to gain insight into the synergy of Ni SAs and *** charge transfer from Ni NPs to the surrounding carbon layer and then to the Ni SAs resulted in the electron-enriched Ni SAs active *** the electroreduction of CO2,the coexistence of Ni SAs and NPs strengthened the CO2activation and the affinity towards the key intermediate of*COOH,lowering the free energy for the potential-determining*CO2→*COOH step,and therefore promoted the catalysis efficiency.

关键词： Single atom catalyst Synergy effect Carbon catalyst Electrocatalysis

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Depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 335-345页

作者： Feng Zhang Chenyang Zhang Linlin Wu Wei Sun Hongliang Zhang Jianhua Chen Yong Pei Songjiang Li Engineering Research Center of Ministry of Education for Carbon Emission Reduction in Metal Resource Exploitation and Utilization Hunan International Joint Research Center for Efficient and Clean Utilization of Critical Metal Mineral ResourcesSchool of Minerals Processing and BioengineeringCentral South UniversityChangsha 410083China State Key Laboratory of Mineral Processing Beijing General Research Institute of Mining&MetallurgyBeijing 100160China hunan Provincial Key Laboratory of Micro&Nano Materials Interfaces Science College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083China School of Resources Environment and MaterialsGuangxi UniversityNanning 530004China Department of Chemistry Xiangtan UniversityXiangtan 411105China china Railway Resource Group Co.Ltd Beijing 102300China

The depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite still lacked in-depth ***,the depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite was further systematically investigated with experiments and density functional theory(DFT)*** X-ray photoelectric spectroscopy(XPS)results,DFT calculation results,and frontier molecular orbital analysis indicated that sulfite ions were difficult to be adsorbed on sphalerite surface,suggesting that sulfite ions achieved depression effects on sphalerite through other non-adsorption ***,the oxygen content in the surface of sphalerite treated with sulfite ions in creased,which enhanced the hydrophilicity of the sphalerite and further increased the difference in hydrophilicity between sphalerite and ***,sulfite ions were chelated with lead ions to form PbSO_(3)in *** hydrophilic PbSO_(3)was more easily adsorbed on sphalerite than *** interaction between sulfite ions and lead ions could effectively inhibit the activation of *** addition the UV spectrum showed that after adding sulfite ions,the peak of perxanthate in the sphalerite treated xanthate solution was significantly stronger than that in the galena with xanthate solution,indicating that xanthate interacted more readily with sulfite ions and oxygen mo lecules within the sphalerite system,leading to the formation of ***,sulfite ions hardly depressed the flotation of ga lena and could promote the flotation of galena to some *** study deepened the understanding of the depression mechanism o sulfite ions on sphalerite and Pb^(2+)activated sphalerite.

关键词： sphalerite galena sulfite ion density functional theory depression mechanism

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Carbon-supported CeNCl as an efficient catalyst for CO_(2)cycloaddition

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Nano Research 2025年第1期18卷 157-163页

作者： Li Liu Lingling Zhang Xiang Chu Baokang Geng Huilin Wang Zongxiang Li Xiao Wang Shuyan Song Hongjie Zhang School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China Sinocare Incorporation Changsha 410221China Department of Chemistry Tsinghua UniversityBeijing 100084China

The cycloaddition reaction of CO_(2)with epoxide not only effectively reduces the concentration of CO_(2)in the atmosphere,but also has excellent industrial application value and up to 100%atom utilization,but there are difficulties in separation and recovery of traditional homogeneous catalysts,harsh reaction conditions of traditional heterogeneous catalysts,and activation of CO_(2)*** this paper,an easily synthesized heterogeneous catalyst CeNCl/C was used to catalyze the cycloaddition reaction of CO_(2)with styrene oxide,with a high yield of 92.7%,a high selectivity of 96.7%,a turnover numbers(TON)value of 349,and a good stability demonstrated in six cycle tests(equivalent to 216 h of testing).Through comprehensive studies,it was shown that CeNCl/C contains Lewis acid-base centers as active centers,which can effectively reduce the energy barrier required for ring opening of the reaction substrate,enhance the adsorption and activation of CO_(2),and promote the formation of intermediates,which led to the acquisition of excellent catalytic activity.

关键词： CO_(2)cycloaddition heterogeneous catalysis CeNCl Lewis acid/base

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A surface engineering strategy for the stabilization of zinc metal anodes with montmorillonite layers toward long-life rechargeable aqueous zinc ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 94-105页

作者： Wenbo Wang Ruifeng Xu Xu Zhang Peiyu Wang Bao Yang Bingjun Yang Juan Yang Kailimai Su Pengjun Ma Yanan Deng Xianfeng Fan Wanjun Chen Key Laboratory for Electronic Materials College of Electrical Engineering Northwest Minzu University Resource Chemistry and Energy Materials Research Center State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences Institute for Materials and Processes School of Engineering University of Edinburgh

Rechargeable aqueous zinc-ion batteries （AZIBs） exhibit appreciable potential in the domain of electrochemical energy ***,there are serious challenges for AZIBs,for instance zinc dendrite growth,hydrogen evolution reaction （HER）,and corrosion side ***,we propose a surface engineering modification strategy for coating the montmorillonite （MMT） layer onto the surface of the Zn anode to tackle these issues,thereby achieving high cycling stability for rechargeable *** results reveal that the MMT layer on the surface of the Zn anode is able to provide ordered zincophilic channels for zinc ions migration,facilitating the reaction kinetics of zinc *** functional theory（DFT） calculations and water contact angle （CA） tests prove that MMT@Zn anode exhibits superior adsorption capacity for Zn2+and better hydrophobicity than the bare Zn anode,thereby achieving excellent cycling ***,the MMT@Zn||MMT@Zn symmetric cell holds the stable cycling over 5600 h at 0.5 mA cm-2and 0.125 m A h cm-2,even exceeding 1800 h long cycling under harsh conditions of 5 m A cm-2and 1.25 m A h *** MMT@Zn||V2O5full cell reaches over 3000 cycles at 2 A g-1with excellent rate ***,this surface engineering modification strategy for enhancing the electrochemical performance of AZIBs represents a promising application.

关键词： Surface engineering strategy Montmorillonite layer Protection mechanism of Zn anode Cycling stability Aqueous zinc ion batteries

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Research on coupled thermo-hydro-mechanical dynamic response characteristics of saturated porous deep-sea sediments under vibration of mining vehicle

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Applied Mathematics and Mechanics(English Edition) 2021年第9期42卷 1349-1362页

作者： Wei ZHU Xinyu SHI Rong HUANG Liyue HUANG Wenbo MA Post-doctoral Research Station of Statistics School of Mathematics and Computational ScienceXiangtan UniversityXiangtan 411105Hunan ProvinceChina School of Mathematics and Computational Science Xiangtan UniversityXiangtan 411105Hunan ProvinceChina School of Mathematic and Computational Science Hunan University of Science and TechnologyXiangtan 411201Hunan ProvinceChina College of Civil Engineering and Mechanics Xiangtan UniversityXiangtan 411105Hunan ProvinceChina

The excessive deformation of deep-sea sediments caused by the vibration of the mining machine will adversely affect the efficiency and safety of *** with the deep-sea environment,the coupled thermo-hydro-mechanical problem for saturated porous deep-sea sediments subject to the vibration of the mining vehicle is *** on the Green-Lindsay(G-L)generalized thermoelastic theory and Darcy’s law,the model of thermo-hydro-mechanical dynamic responses for saturated porous deep-sea sediments under the vibration of the mining vehicle is *** obtain the analytical solutions of non-dimensional vertical displacement,excess pore water pressure,vertical stress,temperature,and change in the volume fraction field with the normal mode analysis method,and depict them *** normal mode analysis method uses the canonical coordinate transformation to solve the equation,which can quickly decouple the equation by ignoring the modal coupling effect on the basis of the canonical *** results indicate that the vibration frequency has obvious influence on the vertical displacement,excess pore water pressure,vertical stress,and change in volume fraction *** loading amplitude has a great effect on the physical quantities in the foundation,and the changes of the physical quantities increase with the increase in loading amplitude.

关键词： deep-sea sediment thermo-hydro-mechanical dynamic generalized thermoelastic theory normal mode analysis dynamic response characteristic

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Fingerprint singular points extraction based on orientation tensor field and Laurent series

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Journal of Central South University 2014年第5期21卷 1927-1934页

作者：刘琴彭可刘巍谢琴李仲阳兰浩金耀 College of Engineering and Design Hunan Normal University Department of Computer Science Florida Institute of Technology

Singular point(SP)extraction is a key component in automatic fingerprint identification system(AFIS).A new method was proposed for fingerprint singular points extraction,based on orientation tensor field and Laurent ***,fingerprint orientation flow field was obtained,using the gradient of fingerprint *** these gradients,fingerprint orientation tensor field was ***,candidate SPs were detected by the cross-correlation energy in multi-scale Gaussian *** energy was calculated between fingerprint orientation tensor field and Laurent polynomial *** a global descriptor,the Laurent polynomial coefficients were allowed for rotational ***,a support vector machine(SVM)classifier was trained to remove spurious SPs,using cross-correlation coefficient as a feature ***,experiments were performed on Singular Point Detection Competition 2010(SPD2010)*** to the winner algorithm of SPD2010 which has best accuracy of 31.90%,the accuracy of proposed algorithm is 45.34%.The results show that the proposed method outperforms the state-of-the-art detection algorithms by large margin,and the detection is invariant to rotational transformations.

关键词： fingerprint extraction singular point fingerprint orientation tensor field Laurent series rotational invariance supportvector machine (SVM)

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多孔质可倾瓦推力轴承柔性枢轴结构设计和性能分析

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摩擦学学报 2025年第12期44卷 1720-1729页

作者：夏勇杰郭红李瑞珍石明辉陈岩郑州大学机械与动力工程学院河南郑州 450001

为进一步优化多孔质可倾瓦推力轴承结构，提升性能，提出并设计直梁形、弓形及混合形3种柔性枢轴形式的轴承并对其性能进行测试分析. 基于Darcy定律、N-S方程、流量平衡方程和瓦块运动方程等建立了多孔质可倾瓦气体推力轴承的静特性分... 详细信息

为进一步优化多孔质可倾瓦推力轴承结构，提升性能，提出并设计直梁形、弓形及混合形3种柔性枢轴形式的轴承并对其性能进行测试分析. 基于Darcy定律、N-S方程、流量平衡方程和瓦块运动方程等建立了多孔质可倾瓦气体推力轴承的静特性分析模型，并对不同柔性枢轴结构进行有限元分析，最后搭建了轴承静特性测试试验台. 研究了不同柔性枢轴结构及偏置对于轴承静特性的影响. 结果表明：弓形枢轴转动刚度最低、灵敏度最高，相同条件下瓦块的变形量最大，更适用于灵敏度要求高的场合；直梁形枢轴适用于承载力大的场合；混合形枢轴兼备了这2种结构的特点，适用于较高载荷以及较高灵敏度的场合；合理的枢轴偏置程度在一定程度上也能够提升轴承的性能. 理论与试验结果具有很好的一致性，从一定程度上验证了理论模型的合理性.

关键词：气体轴承多孔质轴承推力轴承可倾瓦轴承柔性枢轴

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Investigation of mechanical failure performance of a large-diameter shield tunnel segmental ring

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Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2024年第5期25卷 411-428页

作者： Binyong GAO Renpeng CHEN Huaina WU Chengcheng ZHANG Meng FAN Chao XIAO Research Center of Underground Space Advanced Technology Hunan UniversityChangsha 410082China Key Laboratory of Building Safety and Energy Efficiency of the Ministry of Education Hunan UniversityChangsha 410082China Department of Civil Engineering Hunan UniversityChangsha 410082China china Construction No.5 Civil Engineering Co. Ltd.Changsha 410004China

The control criteria for structural deformation and the evaluation of operational safety performance for large-diameter shield tunnel segments are not yet clearly *** address this issue,a refined 3D finite element model was established to analyze the transverse deformation response of a large-diameter segmental *** analyzing the stress,deformation,and crack distribution of large-diameter segments under overload conditions,the transverse deformation of the segmental ring could be divided into four *** main reasons for the decrease in segmental ring stiffness were found to be the extensive development of cracks and the complete formation of four plastic *** deformation control value for the large-diameter shield tunnel segment is chosen as 8%o of the segment's outer diameter,representing the transverse deformation during the formation of the first semi-plastic hinge(i.e.,the first yield point)in the *** control value can serve as a reinforcement standard for preventing the failure of large-diameter shield tunnel *** flexural bearing capacity characteristic curve of segments was used to evaluate the structural strength of a large-diameter segmental *** was discovered that the maximum internal force combination of the segment did not exceed the segment ultimate bearing capacity curve(SUBC).However,the combination of internal force at 9°,85°,and 161°of the joints,and their symmetrical locations about the 0°-180°axis exceeded the joint ultimate bearing capacity curve(JUBC).The results indicate that the failure of the large-diameter segment lining was mainly due to insufficient joint strength,leading to an instability *** findings from this study can be used to develop more effective maintenance strategies for large-diameter shield tunnel segments to ensure their long-term performance.

关键词： Finite element model Transverse deformation response Upper overload Plastic hinges Flexural bearing capacity

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Phonon transport properties of Janus Pb_(2)XAs(X=P,Sb,and Bi)monolayers:A DFT study

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Chinese Physics B 2024年第4期33卷 71-76页

作者：耿嘉鑫张培汤准韵欧阳滔 School of Physics and Optoelectronics and hunan Key Laboratory for Micro-Nano Energy Materials and Device Xiangtan UniversityXiangtan 411105China hunan Provincial Key Laboratory of Intelligent Sensors and Advanced Sensor Materials School of Physics and ElectronicsHunan University of Science and TechnologyXiangtan 411201China

Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coating *** this paper,we present a first-principles calculations of the phonon transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs *** materials possess low lattice thermal conductivity,at least two orders of magnitude lower than graphene and *** room temperature thermal conductivity of Pb_(2)SbAs(0.91 W/m K)is only a quarter of that of Pb_(2)PAs(3.88 W/m K).We analyze in depth the bonding,lattice dynamics,and phonon mode level information of these ***,it is determined that the synergistic effect of low group velocity due to weak bonding and strong phonon anharmonicity is the fundamental cause of the intrinsic low thermal conductivity in these Janus *** regular residual analysis further indicates that the four-phonon processes are limited in Pb_(2)PAs and Pb_(2)SbAs,and the three-phonon scattering is sufficient to describe their *** this study,the thermal transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers are illuminated based on fundamental physical mechanisms,and the low lattice thermal conductivity endows them with the potential applications in the field of thermal barriers and thermoelectrics.

关键词： lattice thermal conductivity weak bonding phonon anharmonicity first principles calculations

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Supported ionic liquid phase-boosted highly active and durable electrocatalysts towards hydrogen evolution reaction in acidic electrolyte

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Journal of Energy Chemistry 2021年第3期30卷 342-351页

作者： Qiyou Wang Yang Gao Zhongyun Ma Yan Zhang Wenpeng Ni Hussein AYounus Ce Zhang Zhengjian Chen Shiguo Zhang College of Materials Science and Engineering Hunan UniversityChangsha 410082China Department of Chemistry Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of EducationXiangtan UniversityXiangtan 411105HunanChina Qian Xuesen Laboratory of Space Technology China Academy of Space Technology(CAST)Beijing 100094China Zhuhai Institute of Advanced Technology Chinese Academy of Sciences Biomaterials Research CenterZhuhai 519003GuangdongChina Chemistry Department Faculty of ScienceFayoum UniversityFayoum 63514Egypt

Platinum is generally known as the most effective electrocatalyst for hydrogen evolution reaction because it can greatly lower the overpotential and accelerate the reaction kinetics,while its commercial potential always suffers from scarcity,high cost,low utilization,and poor durability particularly in acidic *** herein demonstrate a facile method to improve the hydrogen evolution performance of Pt-based electrocatalysts by simply decorating the-state-of-the-art and commercially available Pt/C with hydrophobic protic([DBU][NTf2])or aprotic([BMIm][NTf2])ionic *** current densities of[BMIm]@Pt/C and[DBU-H]@Pt/C with 10% ionic liquid at an overpotential of 40 mV are 2.81 and 4.15 times,respectively,higher than that of the pristine Pt/*** importantly,ionic liquid-decoration significantly improves the long-term stability of Pt *** 8 h of chronoamperometric measurements,[DBU-H]@Pt/C and[BMIm]@Pt/C can still retain 83.7% and 78.3% of their original activity,respectively,which is much higher than that of the pristine Pt/C(24.4%).The improved performance of Pt/C decorated with ionic liquid is considered to arise from the improved proton conductivity(particularly for protic ionic liquid)and hydrophobic microenvironment created by the supported ionic liquid *** presence of ionic liquid layer not only de-coordinates H+from hydronium ions nearby the Pt nanoparticles,but it also protects Pt nanoparticles from dissolution in the acidic media.

关键词： Pt/C Hydrophobic Protic Interface engineering Proton conductivity

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