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Journal of Thermal Science 2024年第5期33卷 1607-1617页

作者： DU Shen HE Yaling LI Dong LIU Zhanbin LI Mengjie national Innovation platform(Center)for industry-education integration of energy storage Technology Key Laboratory of Thermo-Fluid Science and Engineering of Ministry of EducationXi’an Jiaotong UniversityXi’an710049China

Direct pore-scale and volume-averaging numerical simulations are two methods for investigating the performance of porous volumetric solar *** clarify the difference in the prediction of heat transfer processes,a direct comparison between these two methods was conducted at both steady state and transient *** numerical models were established based on X-ray computed tomography scans and a local thermal non-equilibrium model,*** empirical parameters,which are indispensable to the volume-averaging simulation,were determined by Monte Carlo ray tracing and direct pore-scale numerical *** predicted outlet air temperature of the receiver by the volume-averaging simulation method corresponded satisfactorily to that in the direct pore-scale *** largest discrepancies were observed when the receiver's working temperature was elevated,with differences of 5.5%and 3.68%for the steady state and transient state simulations,***,the volume-averaging method is incapable of capturing the local temperature information of the air and porous *** underestimates the inlet temperature of the receiver,leading to an overestimation of the receiver's thermal efficiency,with the largest difference being 6.51%.The comparison results show that the volume-averaging model is a good approximation to the pore-scale model when the empirical parameters are carefully selected.

关键词： porous media volumetric solar receiver pore-scale method volume-averaging method thermal performance

Numerical investigation on the flow and thermal behaviors of the volumetric solar receivers with different morphologies

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Science China(Technological Sciences) 2024年第9期67卷 2749-2757页

作者： DU Shen LI Dong LI MengJie HE YaLing national Innovation platform(Center)for industry-education integration of energy storage Technology Key Laboratory of Thermo-Fluid Science and Engineering of Ministry of EducationXi’an Jiaotong UniversityXi’an 710049China

Morphologies of the porous materials influence the processes of solar radiation transport, flow, and thermal behaviors within volumetric solar receivers. A comprehensive comparative study is conducted by applying pore scale numerical simulations on volumetric solar receivers featuring various morphologies, including Kelvin, Weaire-Phelan, and foam configurations. The idealized unit cell and X-ray computed tomography scan approaches are employed to reconstruct pore scale porous *** Carlo ray tracing and pore scale numerical simulations are implemented to elucidate the radiative, flow, and thermal behaviors of distinct receivers exposed to varying thermal boundary conditions and real irradiation situations. The findings demonstrate that the foam structure exhibits greater solar radiation absorptivity, while Kelvin and Weaire-Phelan structures enhance the penetration depth under non-perpendicular solar irradiation. In comparison with Kelvin and Weaire-Phelan configurations, the foam structure presents efficient convective heat transfer, with the Weaire-Phelan structure showing pronounced thermal non-equilibrium phenomena. The variance in convective heat transfer coefficient between Kelvin and Weaire-Phelan configurations is approximately 8.4%. The foam structure exhibits higher thermal efficiency and flow resistance under nonperpendicular irradiation compared to Kelvin and Weaire-Phelan structures, attributed to its smaller pore size and intricate flow channels. An increase of 1.3% in thermal efficiency is observed with a substantial rise in pressure drop of 32.2%.

关键词： volumetric solar receiver porous morphology pore scale method solar radiation absorption thermal performance flow resistance

How the microenvironment dominated by the distance effect to regulate the FeN_(4)site ORR activity and selectivity?

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Nano Research 2024年第6期17卷 5735-5741页

作者： Peng Li Qingfeng Guo Jianrui Zhang Ruilin Chen Shujiang Ding Yaqiong Su School of Chemistry Engineering Research Center of Energy Storage Materials and Devices of Ministry of EducationNational Innovation Platform(Center)for Industry-Education Integration of Energy Storage TechnologyXi’an Jiaotong UniversityXi’an 710049China Huanghe Science and Technology College Zhengzhou 450063China General Research Institute of Engineering of Gotion High-Tech Hefei 230041China

The distance effect of the doped heteroatoms away from the catalytic centers has rarely been *** this work,we conducted density functional theory calculations to thoroughly investigate the influence of heteroatom(N,P,B,and S atoms)doping distance on the oxygen reduction reaction(ORR)activity of graphene-based FeN_(4)*** uncovered a Sabatier-like relationship between heteroatom doping distance and ORR activity of FeN_(4)*** nearest doping does not significantly improve and even block the ORR activity of FeN_(4)*** ORR activity is achieved when the heteroatoms are 4-5Å(N,P,and S atoms)or 6-7Å(B atoms)away from the Fe *** of electronic structure indicates that distance effect can modulate the local chemical environment of Fe atoms,thereby account for the changes in ORR activity along with the doping distance and doping *** study provides insights into the influence of heteroatom doping on the chemical environment of reaction active centers,and provides the theoretical guidance for controlling the doping distance of heteroatoms to achieve optimal catalytic activity and selectivity.

关键词： distance effect microenvironment heteroatom doping FeN_(4) Sabatier-like relationship structure-activity relationship

Aerodynamic breakup of emulsion droplets in airflow

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Droplet 2024年第4期3卷 48-54页

作者： Zhikun Xu Jinzhao Liu Houpeng Zhang Tianyou Wang Zhizhao Che State Key Laboratory of Engines Tianjin UniversityTianjinChina national industry-education platform of energy storage Tianjin UniversityTianjinChina

Aerodynamic breakup refers to the process where large droplets are fragmented into small droplets by the aerodynamic force in airflow,which plays a vital role in fluid atomization and spray *** research has primarily concentrated on the aerodynamic breakup of single-component droplets,but investigations into the breakup of emulsion droplets are *** study experimentally investigated the aerodynamic breakup of water-in-oil emulsions in airflow,utilizing high-speed photography to observe the breakup process and digital in-line holography to measure fragment *** analyses between emulsion droplets and single-component droplets are conducted to examine the breakup morphology,breakup regime,deformation characteristics,and fragment size *** emulsion droplets exhibit higher apparent viscosity and shorter stretching lengths of the bag film and peripheral rim due to the presence of a dispersed *** breakup regime transitions of emulsions are modeled by integrating the viscosity model of emulsions and the transition model of the pure *** fragment sizes of emulsion droplets are larger due to the shorter lengths of the bag film and peripheral rim.

关键词： emulsion viscosity sizes

Simultaneous integration of Fe clusters and NiFe dual single atoms in nitrogen-doped carbon for oxygen reduction reaction

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Nano Research 2024年第4期17卷 2291-2297页

作者： Jirong Bai Yuebin Lian Yaoyao Deng Mei Xiang Peng Xu Quanfa Zhou Yawen Tang Yaqiong Su Research Center of Secondary Resources and Environment School of Chemical Engineering and MaterialsChangzhou Institute of TechnologyChangzhou 213022China Jiangsu Key Laboratory of New Power Batteries School of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023China School of Chemistry Engineering Research Center of Energy Storage Materials and Devices of Ministry of EducationNational Innovation Platform(Center)for Industry-Education Integration of Energy Storage TechnologyXi’an Jiaotong UniversityXi’an 710049China

Atomically-dispersed iron-based electrocatalysts are promising substitutes for noble metal electrocatalysts because of excellent performance in oxygen reduction reaction(ORR).Rationally modulating the local coordination environment of the Fe site and optimizing the binding energy of oxygen reduction intermediates are effective strategies to optimize ORR ***,we report a new method in which Ni is introduced to construct NiFe dual single atoms and iron nanoclusters loaded on the nitrogen-doped carbon with a highly porous *** design plays a synergistic role of dual single atoms and clusters,optimizes the 3d orbital and Fermi level of Fe,breaks the symmetrical structure of Fe-N_(4),and effectively improves the adsorption/desorption behavior of the oxygen-containing *** tests show FeNCs/NiFeSAs-NC has an excellent intrinsic *** calculations show the oxygen-containing species on the Ni active site will move to the middle of NiFe(bridge site connection)after optimization and that the key step is OH desorption,with a reaction energy of 0.27 *** electron exchange between NiFe-N6 and Fe-cluster is very strong,further indicating the introduction of Ni species and Fe clusters has a regulatory effect on the electronic structure of Fe-N_(4).

关键词： NiFe dual single atoms Fe clusters OH*adsorption energy oxygen reduction reaction

A perspective on the key factors of safety for rechargeable magnesium batteries

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Journal of energy Chemistry 2024年第7期94卷 656-676页

作者： Shuangshuang Tan Jie Xu Rongrui Deng Qiannan Zhao Chaohe Xu Guangsheng Huang Jingfeng Wang Fusheng Pan national Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China national Innovation Center for industry-education integration of energy storage Technology College of Materials Science and EngineeringChongqing UniversityChongqing 400044China Chongqing Institute of New energy storage Materials and Equipment Chongqing 401135China

Rechargeable Mg batteries(RMBs)have become one of the best subsitutes for lithium-ion batteries due to the high volumetric capacity,abundant resources,and uniform plating behavior of Mg metal ***,the safety hazard induced by the formation of high-modulue Mg dendrites under a high current density(10 mA cm^(-1))was still revealed in recent *** has forced researchers to re-examine the safety of *** this review,the intrinsic safety factors of key components in RMBs,such as uneven plating,pitting and flammability of Mg anode,heat release and crystalline water decomposition of cathode,strong corrosion,low oxidition stability and flammability of electrolytes,and soforth,are systematacially *** origins,formation mechanisms,and possible safety hazards are deeply *** develop high-performance Mg anode,current strategies including designing artificial SEI,three-dimensional substrates,and Mg alloys are *** practical electrolytes,the configurations of boron-centered anions and simple Mg salts and the functionalized solvent with high boiling point and low flammability are suggested to comprehensively *** addition,the future study should more focus on the investigation on the thermal runaway and decomposition of cathode materials and *** review aims to provide fundamental insights into the relationship between electrochemistry and safety,further promoting the sustainable development of RMBs.

关键词： Rechargeable Mg batteries Battery safety Mg dendrites Electrolyte decomposition Intrinsic safety issues

Confinement of ionomer for electrocatalytic CO2 reduction reaction via efficient mass transfer pathways

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national Science Review 2024年第2期11卷 168-176页

作者： Xiaowei Du Peng Zhang Gong Zhang Hui Gao Lili Zhang Mengmeng Zhang Tuo Wang Jinlong Gong School of Chemical Engineering and Technology Key Laboratory for Green Chemical Technology of the Ministry of Education Tianjin University Collaborative Innovation Center of Chemical Science and Engineering(Tianjin) national industry-education platform of energy storage Tianjin University Joint School of the national University of Singapore and Tianjin University International Campus of Tianjin University Haihe Laboratory of Sustainable Chemical Transformations

Gas diffusion electrodes（GDEs） mediate the transport of reactants, products and electrons for the electrocatalytic CO2reduction reaction（CO2RR） in membrane electrode assemblies. The random distribution of ionomer, added by the traditional physical mixing method, in the catalyst layer of GDEs affects the transport of ions and CO2. Such a phenomenon results in elevated cell voltage and decaying selectivity at high current densities. This paper describes a pre-confinement method to construct GDEs with homogeneously distributed ionomer, which enhances mass transfer locally at the active centers. The optimized GDE exhibited comparatively low cell voltages and high CO Faradaic efficiencies（FE > 90%） at a wide range of current densities. It can also operate stably for over 220 h with the cell voltage staying almost unchanged. This good performance can be preserved even with diluted CO2feeds, which is essential for pursuing a high single-pass conversion rate. This study provides a new approach to building efficient mass transfer pathways for ions and reactants in GDEs to promote the electrocatalytic CO2RR for practical applications.

关键词： CO2 electroreduction gas diffusion electrode mass transfer ionomer Ag catalyst

High-Performance Inverted Perovskite Solar Cells with Sol-Gel-Processed Sliver-Doped NiOx Hole Transporting Layer

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energy & Environmental Materials 2024年第4期7卷 205-214页

作者： Haibin Wang Zhiyin Qin Xinjian Li Chun Zhao Chao Liang School of Advanced Technology Xi'an Jiaotong-Liverpool University Department of Electrical Engineering and Electronics University of Liverpool School of Humanities and Social Sciences Xi'an Jiaotong-Liverpool University Key Laboratory of Materials Physics of Ministry of education School of Physics and Microelectronics Zhengzhou University MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter School of Physics National Innovation Platform (Center) for Industry-Education Integration of Energy Storage Technology Xi'an Jiaotong University

Nickel oxide （NiOx） has been established as a highly efficient and stable holetransporting layer （HTL） in perovskite solar cells （PSCs）.However,existing deposition methods for NiOxhave been restricted by high-vacuum processes and fail to address the energy level mismatch at the NiOx/perovskite interface,which has impeded the development of PSCs.

关键词： Ag-NiOX/NiOX hole transporting layer inverted perovskite solar cells

Volume-complementary bipolar layered oxide enables stable symmetric sodium-ion batteries

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Nano Research 2024年第5期17卷 4125-4133页

作者： Bo Peng Feng Wang Nazir Ahmad Lai Yu Shenghua Chen Genqiang Zhang School of Materials Science and Engineering Key Laboratory of Efficient Conversion and Solid-state Storage of Hydrogen and Electricity of Anhui ProvinceAnhui University of TechnologyMa’anshan 243002China Hefei national Research Center for Physical Sciences at the Microscale Chinese Academy of Sciences(CAS)Key Laboratory of Materials for Energy ConversionDepartment of Materials Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026China national Innovation platform(Center)for industry-education integration of energy storage Technology School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an 710049China

The commercialization of sodium-ion batteries is based on developing low-cost,highly stable,and safe cathode and anode ***,the promising hard carbon anode and layered oxide cathode suffer from low sodium-embedded potential near 0.1 V and severe phase transitions,which cause safe problem and short lifespan,***,we design a low-strain bipolar P2-Na_(0.7)Ni_(0.25)Fe_(0.2)Ti_(0.55)O_(2) to solve the mentioned obstacles,whereas(Ni,Fe)and Ti provide charge compensation when it is used as cathode and anode,*** is revealed that the bipolar layered oxide undergoes solid-solution reaction when used as cathode or anode,and exhibits volume-complementary feature in a sodium-ion full-cell,as identified by in-situ X-ray ***,the safe symmetric sodium-ion full-cell exhibits excellent cyclic stability with 91.7%capacity retention after 200 *** work will provide a new horizon for designing safe and stable sodium-ion batteries.

关键词： sodium-ion batteries bipolar layered oxides solid-solution reaction volume complementation symmetric battery

Sabatier principle guiding the design of cathode catalysts for Li-CO_(2) batteries

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Journal of energy Chemistry 2024年第10期97卷 585-592,I0012页

作者： Haonan Xie Yimin Zhang Biao Chen Chunnian He Chunsheng Shi Enzuo Liu Naiqin Zhao School of Materials Science and Engineering Tianjin Key Laboratory of Composite and Functional MaterialsKey Laboratory of Advanced Ceramics and Machining Technology(Ministry of Education)Tianjin UniversityTianjin 300350China national industry-education platform of energy storage Tianjin UniversityTianjin 300350China Joint School of national University of Singapore and Tianjin University International Campus of Tianjin UniversityFuzhou 350207FujianChina

The Sabatier principle has been widely used for designing electrocatalysts for energy conversion applications,but it is rarely mentioned in the research of cathode catalyst of Li-CO_(2) *** our work,the"volcanic"relationship between the catalytic activity and the adsorption energy of the catalyst to the intermediates is first demonstrated based on the first-principles calculation,which meets the Sabatier principle and can be used to design the cathode *** increases in the number of nitrogenvacancy in WN shift the d-band center and increase the interaction with the *** catalytic activity increases first and then decreases with the increase of adsorption energy,which was proved in the *** optimal catalyst for moderate adsorption of intermediate makes the thin LiaCO_(3) distribute *** exhibits a median voltage difference of 0.68 V and an energy efficiency of 84.33%at20μA cm^(-2)with a limited capacity of 200μA h cm^(-2).

关键词： Sabatier principle Bidirectional catalyst Transition metal nitrides Nitrogen-vacancy Li-CO_(2) batteries