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Enhancing mechanisms of N-doped biomass carbon on the vanadium-based catalyst for furan degradation at low temperature

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Waste Disposal and Sustainable energy 2024年第1期6卷 1-9页

作者： Ling Wang Minghui Tang Hongxian Li Jiamin Ding Juan Qiu Shengyong Lu State Key Laboratory of clean energy Utilization Zhejiang University38#Zheda RoadHangzhou310027China Taizhou Institute of Zhejiang University Taizhou318012China Qingshanhu energy Research Center Zhejiang University1699 Dayuan RoadQingshanhu Science and Technology CityHangzhou311300China

Polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans(PCDD/Fs)have attracted widespread concern due to their high toxicity,and their difficult manipulation in laboratories has made the research process ***,in our work,furan is selected as the model compound owing to the same structure of a central oxygenate *** catalytic oxidation is regarded as an effective and applicable method for the abatement of PCDD/Fs,the synthesis of low-temperature catalysts is still a challenging problem in practical *** this situation,we prepared a novel V_(2)O_(5)/TiO_(2)catalyst modified with N-doped hierarchical porous carbon(NHPC)via a wet impregnation *** V/T-1%NHPC catalyst could achieve expectant low-temperature performances with 50%furan conversion at 150℃and a complete conversion at 200℃,which decreased 23℃and 40℃compared to the V/T catalyst ***,the addition of NHPC presented lifting chemical stability during long-time *** addition of NHPC in V/T catalysts decreased the formation of crystalline V_(2)O_(5) and increased the percentages of V^(5+)and O_(lat),which improved the utilization of vanadium ions and the catalytic ***,the higher binding energy shift of O_(lat) implied more reaction possibility with other oxidise ***,this work proved the lifting catalytic activity by the interaction between catalysts and NHPC,and proposed the promoting effects of the N *** results showed that the content of the pyridinic N and graphitic N in NHPC changed after combining with V/T catalyst,which played crucial roles in the excellent catalytic ***,this work provides comprehensive research of the V/T-1%NHPC catalyst toward furan oxidation at low temperature and explain the effects of N-doped biomass carbon in catalytic activity clearly,which gave a new thought to design low-temperature catalysts in PCDD/Fs ***,the internal functional mech

关键词： Polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans Furan Low-temperature catalyst V_(2)O_(5)/TiO_(2)catalyst N-doped

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A study of U-isotope ground state properties with covariant energy density functional

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Chinese Physics C 2024年第6期48卷 130-135页

作者：王俊辰田源续瑞瑞崔莹陶曦孙小东张智张玥韩银录葛智刚舒能川 China Nuclear Data Center China Institute of Atomic EnergyBeijing 102413China China Institute of Atomic energy Beijing 102413China

In this study,we systematically analyzed the ground state of uranium isotopes from 225 to *** our calculations,we used the covariant energy density functional of density-dependent meson exchange interaction(DDME2)with separable pairing interaction(TMR).Using the multiple deformation constraint,we calculated the potential energy surface(PES)of the uranium isotopes for both even-even and even-odd nuclei with quadrupole and octupole *** on our calculation and upon comparing the experimental data and Hartree-Fock-Bogoliubov calculations with Gogny D1S calculation data,the ground state of uranium isotopes with reflection-asymmetric deformation was found to be preferred.

关键词： relativistic mean field density functional theory octupole deformation

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An effective strategy of constructing multi-metallic oxides of ZnO/ CoNiO_(2)/CoO/C microflowers for improved supercapacitive performance

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Chinese Journal of Chemical Engineering 2024年第3期67卷 1-8页

作者： Wei Guo Yan Zhang Xiaxin Lei Shuang Wang College of Physics Taiyuan University of TechnologyJinzhong 030600China College of Environmental Science and Engineering Taiyuan University of TechnologyJinzhong 030600China Shanxi Key Laboratory of Gas energy Efficient and clean Utilization Taiyuan University of TechnologyTaiyuan 030024China

In this work,a new ZnO/CoNiO_(2)/CoO/C metal oxides composite is prepared by cost-effective hydrothermal method coupled with annealing process under N_(2) ***,the oxidation-defect annealing environment is conducive to both morphology and component of the composite,which flower-like ZnO/CoNiO_(2)/CoO/C is *** from good chemical stability of ZnO,high energy capacity of CoNiO_(2) and CoO and good conductivity of C,the as-prepared sample shows promising electrochemical behavior,including the specific capacity of 1435 C·g^(-1) at 1 A·g^(-1),capacity retention of 87.3%at 20 A·g^(-1),and cycling stability of 90.5%for 3000 cycles at 5 A·g^(-1),***,the prepared ZnO/CoNiO_(2)/CoO/C/NF//AC aqueous hybrid supercapacitors device delivers the best specific energy of 55.9 W·h·kg^(-1) at 850 W·kg^(-1).The results reflect that the as-prepared ZnO/CoNiO_(2)/CoO/C microflowers are considered as high performance electrode materials for supercapacitor,and the strategy mentioned in this paper is benefit to prepare mixed metal oxides composite for energy conversion and storage.

关键词： Composites Electrochemistry Hydrothermal Transition metal oxides Structural control Supercapacitors

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Hybrid ion/electron interfacial regulation stabilizes the cobalt/oxygen redox of ultrahigh-voltage lithium cobalt oxide for fast-charging cyclability

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Science Bulletin 2024年第13期69卷 2071-2079页

作者： Zhihong Bi Anping Zhang Gongrui Wang Cong Dong Pratteek Das Xiaoyu Shi Zhong-Shuai Wu State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China University of Chinese Academy of Sciences Beijing 100049China Dalian National Laboratory of clean energy Chinese Academy of SciencesDalian 116023China

High-voltage and fast-charging LiCoO_(2)(LCO)is key to high-energy/power-density Li-ion ***,unstable surface structure and unfavorable electronic/ionic conductivity severely hinder its high-voltage fast-charging ***,we construct a Li/Na-B-Mg-Si-O-F-rich mixed ion/electron interface network on the 4.65 V LCO electrode to enhance its rate capability and long-term cycling ***,the resulting artificial hybrid conductive network enhances the reversible conversion of Co^(3+)/^(4+)/O_(2)/nredox by the interfacial ion–electron cooperation and suppresses interface side reactions,inducing an ultrathin yet compact cathode electrolyte ***,the derived near-surface Na+/Mg2+/Si^(4+)-pillared local intercalation structure greatly promotes the Li^(+)diffusion around the 4.55 V phase transition and stabilizes the cathode ***,excellent 3 C(1 C=274 mA g1)fast charging performance is demonstrated with 73.8%capacity retention over 1000 *** findings shed new insights to the fundamental mechanism of interfacial ion/electron synergy in stabilizing and enhancing fast-charging cathode materials.

关键词： High-voltage Fast-charging LiCoO_(2) Interfacial ion-electron cooperation Local intercalation

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Optimizing high-coordination shell of Co-based single-atom catalysts for efficient ORR and zinc-air batteries

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Journal of energy Chemistry 2024年第8期95卷 306-314,I0007页

作者： Yugang Qi Qing Liang Kexin Song Xinyan Zhou Meiqi Liu Wenwen Li Fuxi Liu Zhou Jiang Xu Zou Zhongjun Chen Wei Zhang Weitao Zheng Key Laboratory of Automobile Materials MOE School of Materials Science&Engineering Electron Microscopy Centerand International Center of Future ScienceJilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy MaterialsJilin UniversityChangchun 130012JilinChina Institute of High energy Physics Chinese Academy of SciencesBeijing 100049China

Atom-level modulation of the coordination environment for single-atom catalysts(SACs)is considered as an effective strategy for elevating the catalytic *** the MNxsite,breaking the symmetrical geometry and charge distribution by introducing relatively weak electronegative atoms into the first/second shell is an efficient way,but it remains challenging for elucidating the underlying mechanism of ***,a practical strategy was reported to rationally design single cobalt atoms coordinated with both phosphorus and nitrogen atoms in a hierarchically porous carbon derived from metal-organic frameworks.X-ray absorption spectrum reveals that atomically dispersed Co sites are coordinated with four N atoms in the first shell and varying numbers of P atoms in the second shell(denoted as Co-N/P-C).The prepared catalyst exhibits excellent oxygen reduction reaction(ORR)activity as well as zinc-air battery *** introduction of P atoms in the Co-SACs weakens the interaction between Co and N,significantly promoting the adsorption process of ^(*)OOH,resulting in the acceleration of reaction kinetics and reduction of thermodynamic barrier,responsible for the increased intrinsic *** discovery provides insights into an ultimate design of single-atom catalysts with adjustable electrocatalytic activities for efficient electrochemical energy conversion.

关键词： Electrocatalytic Oxygen reduction reaction Single atom catalyst Shell coordination optimization

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Effect of Air Distribution on the Transport Characteristics of Solid Particles in the Thermal Storage and Release System of Circulating Fluidized Bed

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Journal of Thermal Science 2024年第4期33卷 1554-1563页

作者： JI Zengcai SONG Guoliang TANG Zihua SUN Liwei State Key Laboratory of Coal Conversion Institute of Engineering ThermophysicsChinese Academy of SciencesBeijing100190China University of Chinese Academy of Sciences Beijing100049China Dalian National Laboratory for clean energy Dalian116023China

Solid particle heat storage technology offers a potential solution to the challenges posed by the significant growth of renewable energy sources,particularly in terms of grid security and ***,it has the capability to optimize the energy utilization efficiency of the power *** order to investigate the transport regulation characteristics of solid particles in the thermal storage and release system of a circulating fluidized bed(CFB),a test rig with a capacity of 0.1 MW(th)was *** rig was utilized to systematically study the transport regulation characteristics of solid particles under the double U-type valve feed structure and U-type valve discharge *** experimental findings indicate that the system's design enables efficient and rapid storage and release of solid particles in the *** air distribution mode,specifically the double U-type valve feed structure and the U-type valve discharge structure,significantly influence the feed and discharge characteristics of the ash storage *** was observed that the impact of loose air on these characteristics is more substantial than that of the return air,irrespective of the feed structure or the return *** adjusting the feed and discharge rate,it is recommended to adopt a scheme that involves coarse adjustment through loose air and fine adjustment through return air.

关键词： solid particle thermal storage air distribution mode transport regulation

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Hydrodynamic Cavitation Enhanced SR-Aops Degradation of Organic Pollutants in Water:A Review

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Fluid Dynamics & Materials Processing 2024年第4期20卷 671-692页

作者： Xiufeng Zhu Jingying Wang School of energy and Power Engineering Shandong UniversityJinan250061China Key Laboratory of High Efficiency and clean Machinery Manufacturing of Ministry of Education School of Mechanical EngineeringShandong UniversityJinan250061China

SR-AOP(sulfate radical advanced oxidation process)is a novel water treatment method able to eliminate refractory organic *** cavitation(HC)is a novel green technology,that can effectively produce strong oxidizing sulfate *** paper presents a comprehensive review of the research advancements in these fields and a critical discussion of the principal factors influencing HC-enhanced SR-AOP and the mechanisms of synergistic ***,some insights into the industrial application of HC/PS are also *** research shows that this technology is feasible at the laboratory stage,but its application on larger scales requires further understanding and *** this review,some attention is also paid to the design of the hydrodynamic cavitation reactor and the related operating parameters.

关键词： Hydrodynamic cavitation organic pollutant persulfate degradation influence factor

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Seed-assisted growth for high-performance perovskite solar cells:A review

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Journal of energy Chemistry 2024年第9期96卷 588-610页

作者： Zhimin Fang Ting Nie Jianning Ding Shengzhong(Frank)Liu Institute of Technology for Carbon Neutralization Yangzhou UniversityYangzhou 225127JiangsuChina Dalian National Laboratory for clean energy iChEMDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina Key Laboratory of Applied Surface and Colloid Chemistry Ministry of EducationShaanxi Key Laboratory for Advanced Energy DevicesShaanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal UniversityXi’an 710119ShaanxiChina

The rapid increase in the power conversion efficiency(PCE)of perovskite solar cells(PSCs)is closely related to the development of deposition techinique for perovskite *** high-quality perovskite film enables efficient charge transportation and less trap states,which are eventually translated into enhanced device ***-assisted growth(SAG)is a potential technique for depositing highly-crystallized perovskite films with preferential crystal orientation among the numerous approaches related to crystallization *** this review,we summarize the recent advances in the SAG technique for both one-step and two-step processed perovskite ***,seeding at the buried interface and on the top surface are also *** present different seeds and their corresponding seeding mechanism in detail,such as inorganic nanomaterials,organic ammoniums,alkali metal halides,and perovskite ***,challenges and perspectives are proposed to investigate the potential expansion of seeding engineering in high-performance PSCs,particularly large-area devices.

关键词： Perovskite solar cell Seed Crystallization Efficiency

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Amino acids modified nanoscale zero-valent iron:Density functional theory calculations,experimental synthesis and application in the Fenton-like degradation of organic solvents

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Journal of Environmental Sciences 2024年第1期135卷 296-309页

作者： Xingchen Yang Fucheng Ming Jianlong Wang Lejin Xu Department of Nuclear Engineering and Technology School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan 430074China China-EU Institute for clean and Renewable energy Huazhong University of Science and TechnologyWuhan 430074China Institute of Nuclear and New energy Technology Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of EducationTsinghua UniversityBeijing 100084China Beijing Key Laboratory of Radioactive Wastes Treatment Tsinghua UniversityBeijing 100084China

To improve the adsorption and catalytic performance of heterogeneous Fenton-like catalysts for oil wastes,amino acids were used to modify nanoscale zero-valent iron(AA@Fe^(0)),which were applied in the Fenton-like degradation of organic solvents(tributyl phosphate and n-dodecane,named TBP and DD).Twelve amino acids,i.e.,glycine(Gly),alanine(Ala),leucine(Leu),proline(Pro),phenylalanine(Phe),methionine(Met),cysteine(Cys),asparagine(Asn),serine(Ser),glutamic acid(Glu),lysine(Lys)and arginine(Arg),were selected and calculated by density functional theory(DFT).The optimized structure,charge distribution,the highest occupied molecular orbital(HOMO),the lowest unoccupied molecular orbital(LUMO),interaction region indicator(IRI)isosurface map and adsorption energy of AA@Fe^(0),AA@Fe^(0)-TBP and AA@Fe^(0)-DD were studied,which indicated that Fe is more likely to approach and charge transfer with-COO and-NH_(3) on theα-carbon of amino *** is strong attraction between Fe and–COO,and Van der Waals force between Fe and-NH_(3),*** the interaction of AA@Fe^(0)with TBP and DD,Van der Waal force plays an important ***@Fe^(0)was synthesized in laboratory and characterized to investigate physicochemical *** Fenton-like degradation of organic solvents,the change of COD in water phase during the degradation process as well as the volume of the organic phase after the reaction were *** results of calculations combined with experiments showed that Ser-modified Fe^(0)performed the best in these amino acids,with 98%removal of organic solvents.A possible catalytic mechanism was proposed in which amino acids acted a linking role between Fe and organic solvents,activating H_(2)O_(2)to generate hydroxyl radicals for the degradation of organic solvents.

关键词： Amino acids Nanoscale zero-valent iron Density functional theory Organic solvents Fenton-like degradation

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High-efficiency sodium storage of Co_(0.85)Se/WSe_(2) encapsulated in N-doped carbon polyhedron via vacancy and heterojunction engineering

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Carbon energy 2024年第1期6卷 94-107页

作者： Ya Ru Pei Hong Yu Zhou Ming Zhao Jian Chen Li Xin Ge Wei Zhang Chun Cheng Yang Qing Jiang Key Laboratory of Automobile Materials(Jilin University) Ministry of EducationSchool of Materials Science and EngineeringJilin UniversityChangchunChina Jilin Provincial International Cooperation Key Laboratory of High-Efficiency clean energy Materials Electron Microscopy CenterJilin UniversityChangchunChina

With the advantage of fast charge transfer,heterojunction engineering is identified as a viable method to reinforce the anodes'sodium storage ***,vacancies can effectively strengthen the Na+adsorption ability and provide extra active sites for Na+***,their synchronous engineering is rarely ***,a hybrid of Co_(0.85)Se/WSe_(2) heterostructure with Se vacancies and N-doped carbon polyhedron(CoWSe/NCP)has been fabricated for the first time via a hydrothermal and subsequent selenization *** aberration-corrected transmission electron microscopy confirms the phase interface of the Co_(0.85)Se/WSe_(2) heterostructure and the existence of Se *** functional theory simulations reveal the accelerated charge transfer and enhanced Na+adsorption ability,which are contributed by the Co_(0.85)Se/WSe_(2) heterostructure and Se vacancies,*** expected,the CoWSe/NCP anode in sodium-ion battery achieves outstanding rate capability(339.6 mAh g^(−1) at 20 A g^(−1)),outperforming almost all Co/W-based selenides.

关键词： Co_(0.85)Se/WSe_(2)heterostructure density functional theory simulations N-doped carbon polyhedron Se vacancies sodium-ion batteries

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