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Manipulating d-d orbital hybridization induced by Mo-doped Co_(9)S_(8) nanorod arrays for high-efficiency water electrolysis

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Journal of Energy Chemistry 2024年第6期93卷 592-600,I0015页

作者： Xue Zhou Jing Li Guangyao Zhou Weiran Huang Yucan Zhang Jun Yang Huan Pang Mingyi Zhang Dongmei Sun Yawen Tang Lin Xu Jiangsu Key Laboratory of New Power Batteries Jiangsu Collaborative Innovation Centre of Biomedical Functional MaterialsSchool of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023JiangsuChina 'College of Science Jinling Institute of TechnologyNanjing 211169JiangsuChina State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Nanjing IPE Institute of Green Manufacturing Industry Nanjing 211100JiangsuChina School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225009JiangsuChina Key Laboratory for Photonic and Electronic Bandgap Materials Ministry of EducationSchool of Physics and Electronic EngineeringHarbin Normal UniversityHarbin 150025HeilongjiangChina

Precisely refining the electronic structure of electrocatalysts represents a powerful approach to further optimize the electrocatalytic ***,we demonstrate an ingenious d-d orbital hybridization concept to construct Mo-doped Co_(9)S_(8) nanorod arrays aligned on carbon cloth(CC)substrate(abbreviated as Mo-Co_(9)S_(8)@CC hereafter)as a high-efficiency bifunctional electrocatalyst toward water *** has experimentally and theoretically validated that the 4d-3d orbital coupling between Mo dopant and Co site can effectively optimize the H_(2)O activation energy and lower H^(*)adsorption energy barrier,thereby leading to enhanced hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)*** to the unique electronic and geometrical advantages,the optimized Mo-Co_(9)S_(8)@CC with appropriate Mo content exhibits outstanding bifunctional performance in alkaline solution,with the overpotentials of 75 and 234 mV for the delivery of a current density of 10 mA cm^(-2),small Tafel slopes of 53.8 and 39.9 mV dec~(-1)and long-term stabilities for at least 32 and 30 h for HER and OER,*** impressively,a water splitting electrolylzer assembled by the self-supported Mo-Co_(9)S_(8)@CC electrode requires a low cell voltage of 1.53 V at 10 mA cm^(-2)and shows excellent stability and splendid reversibility,demonstrating a huge potential for affordable and scalable electrochemical H_(2) *** innovational orbital hybridization strategy for electronic regulation herein provides an inspirable avenue for developing progressive electrocatalysts toward new energy systems.

关键词： d-d orbital hybridization Transition metal sulfides Nanorods arrays Water electrolysis

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Molecular dynamics study of shale oil adsorption and diffusion behavior in reservoir nanopores: Impact of hydrocarbon composition and surface type

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Journal of Molecular Liquids 2024年第PartA期414卷

作者： Zheng, Lichen Zhao, Qiuyang Adams, Michael J. Alexiadis, Alessio Wang, Yechun Jin, Hui Guo, Liejin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China School of Chemical Engineering University of Birmingham BirminghamB15 2TT United Kingdom

Understanding shale oil adsorption in reservoir nanopores is essential for efficient extraction. This study used MD simulations to analyze the adsorption and diffusion of two- and multi-component hydrocarbons (Aromatics, Alkanes, Resin) on various shale surfaces (Calcite, Montmorillonite, Quartzite, Organic) at 353 K and 25 MPa. Hydrocarbons formed a bilayer adsorption structure comprising a high-concentration adsorption layer (L1, 0.35–0.90 g/cm3) and a low concentration weak adsorption layer (L2), with adsorption density ranked as Resin > Aromatics > Alkanes. Reservoir surfaces were classified as ionic (e.g., calcite, montmorillonite) and non-ionic (e.g., quartz, graphite), and polar hydrocarbons exhibited higher adsorption densities and energies on ionic surfaces due to combined electrostatic and van der Waals interactions, while non-ionic surfaces showed smaller adsorption differences. For multicomponent hydrocarbons, adsorption layer densities followed the order: graphite > MMT-SiO > quartz > calcite > MMT-Na, with competitive adsorption observed. The polar component exhibited a greater adsorption advantage on the calcite, MMT-SiO side and graphite surfaces due to electrostatic interactions and π-π interactions, and a lesser advantage on the MMT-Na side and quartz surfaces. Hydrocarbon diffusivity was influenced by molecular mass and polarity and ordered as Alkanes > Aromatics Resin. Polar molecules had a weaker diffusion than nonpolar molecules at similar molecular masses. Among the multicomponent hydrocarbons, the self-diffusion coefficient (Self-D) of Resin increased, while that of lighter components decreased compared to two-component systems. These findings offer strategies for improving shale oil recovery by tailoring injection fluids to reservoir types, anionic surfactants or chelating agents may be used to reduce electrostatic interactions in carbonate and clay reservoirs, while nonionic surfactants may be more effective in quartz reservoirs. © 2024

关键词： Nonionic surfactants

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Recent advancement and future challenges of photothermal catalysis for VOCs elimination:From catalyst design to applications

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Green Energy & Environment 2023年第3期8卷 654-672页

作者： Yang Yang Shenghao Zhao Lifeng Cui Fukun Bi Yining Zhang Ning Liu Yuxin Wang Fudong Liu Chi He Xiaodong Zhang Environment and Low-Carbon Research Center School of Environment and ArchitectureUniversity of Shanghai for Science and TechnologyShanghai 200093China College of Smart Energy Shanghai Jiao Tong UniversityShanghai 200240China Institute of Applied Biotechnology Taizhou Vocation&Technical CollegeTaizhou Zhejiang 318000China Department of Civil Environmentaland Construction EngineeringCatalysis Cluster for Renewable Energy and Chemical Transformations(REACT)NanoScience Technology Center(NSTC)University of Central FloridaOrlandoFL 32816United States State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power EngineeringXi'an Jiaotong UniversityXi'anShaanxi 710049China

Photothermal catalysis realizes the synergistic effect of solar energy and thermochemistry,which also has the potential to improve the reaction rate and optimize the *** this review,the research progress of photothermal catalytic removal of volatile organic compounds(VOCs)by nano-catalysts in recent years is systematically ***,the fundamentals of photothermal catalysis and the fabrication of catalysts are described,and the design strategy of optimizing photothermal catalysis performance is ***,the performance for VOC degradation with photothermal catalysis is evaluated and compared for the batch and continuous ***,the catalytic mechanism of VOC oxidation is systematically introduced based on experimental and theoretical ***,the future limitations and challenges have been discussed,and potential research directions and priorities are highlighted.A broad view of recent photothermal catalyst fabrication,applications,challenges,and prospects can be systemically provided by this review.

关键词： Photothermal catalysis VOCs Catalyst design Light-driven thermal catalysis Photothermal synergistic effect

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Core-shell gold-copper nanoparticles:Evolution of copper shells on gold cores at different gold/copper precursor ratios

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Chinese Journal of Structural Chemistry 2023年第11期42卷 32-39页

作者： Shaonan Tian Yu Zhang Qing Zeng Junyu Zhong Hui Liu Lin Xu Jun Yang State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing100049China State Key Laboratory of Bio-fibers and Eco-textiles Qingdao UniversityQingdao266071China School of Chemistry and Materials Science Jiangsu Key Laboratory of New Power BatteriesJiangsu Collaborative Innovation Centre of Biomedical Functional MaterialsNanjing Normal UniversityNanjing210023China

Core-shell nanostructures usually exhibit tunable catalytic properties in comparison with their single core or shell counterpart due to electronic interaction and lattice strain between the core and shell ***,we report the intriguing evolution of copper(Cu)shells on the gold(Au)cores at different Au/Cu precursor ratios during the synthesis of core-shell Au-Cu nanoparticles at an organic medium via seed-mediated growth *** brief,at relatively low Cu ratios,quasi-spherical Au-Cu nanoparticles with conventional core-shell structures are the majority products,in which the Cu shell thickness increases with the increase of Cu precursor *** dif-ference is that at high Cu ratios,the Cu shells no longer increase their thickness,but evolve into a dendritic ***,the core-shell Au-Cu nanoparticles with dendritic Cu shells could be transformed into interesting Au-Cu cage-bell structures after a ripening process at elevated ***,through galvanic replacement reaction with Pt precursors,the thin Cu shells could be converted into CuPt alloy shells on the Au cores,which exhibit enhanced activity towards methanol oxidation reaction with satisfactory durability,in comparison with that of commercial Pt/C catalysts.

关键词： Core-shell nanostructure Seed-mediated growth Electronic interaction Lattice strain Methanol oxidation reaction

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Review, Numerical Validation, and Experiment Verification for Definite Solution Analogy Theory (Dsat) in Thermal-Hydraulic Scaling

SSRN

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SSRN 2024年

作者： Li, Xinyu Zhang, Dalin Jiang, Dianqiang Zhou, Xingguang Lv, Xindi Tian, Wenxi Qiu, Suizheng Su, Guanghui State Key Laboratory of Multiphase Flow in Power Engineering Shaanxi Key Laboratory of Advanced Nuclear Energy and Technology School of Nuclear Science and Technology Xi’an Jiaotong University Xi’an710049 China China

The new generation of reactor technology: Fluoride-Salt-cooled high-Temperature Advanced Reactor (FuSTAR), mainly applied to the steady supply of stable electricity and high-temperature process heat for remote, underground, and arid areas. So far, the design of the heat transport system and Passive Residual Heat Removal System (PRHRS) of FuSTAR has been finished, but the scaling and experiment verification still needs to be carried out. In this study, the Definite Solution Analogy Theory (DSAT) was used for scaling analysis, and the scaling experiment platform of PRHRS was built. DSAT was verified through numerical simulation and experiment results, which can support the design and optimization of the PRHRS. The numerical test results show that the similar distribution of physical fields in dimensionless space on the prototype and experiment is realized under the DSAT framework. The steady-state experiment results show that the prototype of PRHRS can take away more than 1% of the decay heat of the total thermal power and has a margin of about 15% under a stable natural cycle. The maximum deviation between the measured temperature and the calculated value with DSAT is more than 4°C. The transient experiment results show that the maximum deviation of dimensionless solutions is less than 4%, which proves the high accuracy of DSAT and the PRHRS based on this framework can effectively remove the decay heat in the reactor. This work can be used to extend the scaling method of thermal-hydraulic in high dimensional space and transient conditions. © 2024, The Authors. All rights reserved.

关键词： Fluorine compounds

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Multi-Dimensional Coupling Analysis of the Control Rod Withdraw Accident with Scam in the Typical Lfr

SSRN

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SSRN 2023年

作者： Qiu, Hanrui Zhang, Jing Wang, Mingjun Tian, Wenxi Su, Guanghui State Key Laboratory of Multiphase Flow in Power Engineering School of Nuclear Science and Technology Xi’an Jiaotong University Xi’an710049 China

MYRRHA is the Gen IV liquid metal cooled fast reactor, which is a pool-type reactor system developed and designed by the Belgian Nuclear Research Center SCK·CEN. Regarding the safety assessment of the installation, the major challenge is to analyze the complex coolant flow field characteristics in the large open regions of the reactor vessel. In this paper, a coupled sub-channel/CFD multi-scale platform is developed through implementing the sub-channel code SACOS-PB to the CFD code FLUENT based on the domain decomposition and explicit numerical scheme. The flow field characteristics in the upper plenum of reactor emergency shutdown after a reactivity insertion accident (RIA) were investigated. Based on the RIA analysis, the thermal stratification effect has been observed in the upper plenum. The analysis results well demonstrated the 3D flow and local phenomenon of the fluid in the upper plenum, which is significant to reactor design and reactor safety analysis of LFRs. © 2023, The Authors. All rights reserved.

关键词： Control rods

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Rapid Methane Hydrate Formation in Open-Cell Copper Foam 4th

Rapid Methane Hydrate Formation in Open-Cell Copper Foam

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4th International Technical Symposium on Deepwater Oil and Gas engineering and 3rd International Youth Forum on Gas Hydrate, DWOG-Hyd 2021

作者： Wang, Jiajie Yang, Liang Shao, Xinxin Zhang, Hao School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai200093 China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering University of Shanghai for Science and Technology Shanghai200093 China

ISBN: (纸本)9789811909597

Rapid methane hydrate formation with high gas storage capacity is very important for the application of natural gas hydrates technology. Three pieces of open-cell copper foam (CF) with different pore densities (or pores per inch, PPI) herein were immersed in sodium dodecyl sulfate (SDS) solution for enhancing methane storage in solid hydrate. The promotion effects of CF on the methane hydrate formation in the metal-embedded systems were investigated via an unstirred tank reactor. The results demonstrated that the surface of CF skeleton is covered with abundant micro holes and micro grooves, which can provide many metal nuclei for gas-water crystallization. The nest-like metal skeleton acts as crisscross "highway" for the crystallization heat transfer. Methane hydrate was quickly formed in the SDS/CF systems, but CF with the pore densities of 5 and 30 PPI was not favorable for conversion of more water to hydrate. Compared with these two composite systems, the SDS solution with the 15 PPI CF were able to store more methane at a faster formation rate. A theoretical model based highly porous two-phase systems was used to predict the effective thermal conductivity (ETC) of the metal foam filled with hydrate. It was found that the ETC of the hydrate/CF composite was significantly enhanced by employing CF matrix, and the low pore density CF had a more positive impact on improving the ETC of the composite. Further comparative experiments conducted at various pressures indicated that the solutions with 15 PPI CF exhibited higher methane storage capacities and larger hydration rates than the simple SDS solution, especially at the low pressure. © 2022, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

关键词： Sodium dodecyl sulfate

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Reactive template-derived interfacial engineering of CoP/CoO heterostructured porous nanotubes towards superior electrocatalytic hydrogen evolution

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Carbon Energy 2023年第1期5卷 194-205页

作者： Qixing Zhou Ruoxu Sun Yiping Ren Run Tian Jun Yang Huan Pang Kai Huang Xinlong Tian Lin Xu Yawen Tang School of Chemistry and Chemical Engineering Southeast UniversityNanjingJiangsuChina State Key Laboratory of Marine Resource Utilization in South China Sea Hainan Provincial Key Lab of Fine ChemistrySchool of Chemical Engineering and TechnologyHainan UniversityHaikouHainanChina Jiangsu Key Laboratory of New Power Batteries School of Chemistry and Materials ScienceJiangsu Collaborative Innovation Center of Biomedical Functional MaterialsNanjing Normal UniversityNanjingJiangsuChina Nanjing IPE Institute of Green Manufacturing Industry NanjingJiangsuChina State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijingChina School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhouJiangsuChina

The development of economical,efficient,and robust electrocatalysts toward the hydrogen evolution reaction(HER)is highly imperative for the rapid advancement of renewable H2 energy-associated *** utilization of the heterointerface effect can endow the catalysts with remarkably boosted electrocatalytic performance due to the modified electronic state of active ***,we demonstrate deliberate crafting of CoP/CoO heterojunction porous nanotubes(abbreviated as CoP/CoO PNTs hereafter)using a self-sacrificial template-engaged *** control over the Kirkendall diffusion process of the presynthesized cobalt–aspartic acid complex nanowires is indispensable for the formation of CoP/CoO *** topochemical transformation strategy of the reactive templates enables uniform and maximized construction of CoP/CoO heterojunctions throughout all the porous *** establishment of CoP/CoO heterojunctions could considerably modify the electronic configuration of the active sites and also improve the electric conductivity,which endows the resultant CoP/CoO PNTs with enhanced intrinsic ***,the hollow and porous nanotube architectures allow sufficient accessibility of exterior/interior surfaces and molecular permeability,drastically promoting the reaction ***,when used as HER electrocatalysts,the well-designed CoP/CoO PNTs show Pt-like activity,with an overpotential of only 61 mV at 10mA cm^(−2) and excellent stability in 1.0M KOH medium,exceeding those of the vast majority of the previously reported nonprecious *** functional theory calculations further substantiate that the construction of CoP/CoO heterojunctions enables optimization of the Gibbs free energies for water adsorption and H adsorption,resulting in boosted HER intrinsic *** present study may provide in-depth insights into the fundamental mechanisms of heterojunction-induced electronic regulation,which may p

关键词： heterojunction hydrogen evolution reaction porous nanotubes reactive template

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Sequential Growth of Cs_(3)Bi_(2)I_(9)/BiVO_(4)Direct Z-Scheme Heterojunction for Visible-Light-Driven Photocatalytic CO_(2)Reduction

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Transactions of Tianjin University 2023年第6期29卷 462-472页

作者： Long Jiang Hanrui Du Le Li Xiangjiu Guan Yihao Zhang Liwei Li Xiaoxu Liu Lei Li Yingcheng Tian Li Zhang Shuai Wang Jie Chen Shaohua Shen State Key Laboratory for Performance and Structure Safety of Petroleum Tubular Goods and Equipment Materials CNPC Tubular Goods Research InstituteXi’an 710077China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049China School of Chemical Engineering and Technology Xi’an Jiaotong UniversityXi’an 710049China CNPC National Engineering Research Center for Oil and Gas Drilling Equipment Co. Ltd.Baoji 721002China China Coal Energy Research Institute Co. Ltd.Xi’an 710049China

The high exciton binding energy and lack of a positive oxidation band potential restrict the photocatalytic CO_(2)reduction efficiency of lead-free Bi-based halide perovskites Cs_(3)Bi_(2)X_(9)(X=Br,I).In this study,a sequential growth method is presented to prepare a visible-light-driven(λ>420 nm)Z-scheme heterojunction photocatalyst composed of BiVO_(4)nanocrystals decorated on a Cs_(3)Bi_(2)I_(9)nanosheet for photocatalytic CO_(2)reduction coupled with water *** Cs_(3)Bi_(2)I_(9)/BiVO_(4)Z-scheme heterojunction photocatalyst is stable in the gas-solid photocatalytic CO_(2)reduction system,demonstrating a high visible-light-driven photocatalytic CO_(2)-to-CO production rate of 17.5μmol/(g·h),which is approximately three times that of pristine Cs_(3)Bi_(2)I_(9).The high efficiency of the Cs_(3)Bi_(2)I_(9)/BiVO_(4)heterojunction was attributed to the improved charge separation in Cs_(3)Bi_(2)I_(9).Moreover,the Z-scheme charge-transfer pathway preserves the negative reduction potential of Cs_(3)Bi_(2)I_(9)and the positive oxidation potential of BiVO_()*** study off ers solid evidence of constructing Z-scheme heterojunctions to improve the photocatalytic performance of lead-free halide perovskites and would inspire more ideas for developing leadfree halide perovskite photocatalysts.

关键词： Lead-free halide perovskite Z-scheme heterojunction CO_(2)reduction Visible-light photocatalysis Charge transfer

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Accelerating electron transport in Eosin Y by bidentately bridging on BaSnO_(3)for noble-metal-free photocatalytic H 2 production

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Energy Storage and Saving 2023年第1期2卷 328-335页

作者： Jinwen Shi Huaiyu Lu Xing Kang Lulu Hou Feng Chen Yazhou Zhang Kang Chen Xiao Wang Xiangjiu Guan Lijing Ma International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an710049China State Key Laboratory for Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen361005China Department of High-Tech Development Weichai Power Co.Ltd.WeifangShandong261061China China Petroleum Pipeline Engineering Co.Ltd. PipeChinaUrumqi830013China Department of New Energy Project Northwest Engineering Co.Ltd.PowerChinaXi’an710065China

The separation and transport of photogenerated carriers is regarded as a curial factor in photocatalytic H_(2)*** known in solar cells and photoelectron-chemistry,to strengthen the electron conduction for effective utilization of carriers,the electron transport material(ETM)is widely ***,inspired by the function of ETM,we adopted barium stannate(BaSnO_(3),labeled as BSO)as an excellent ETM which had the merits of high electron mobility,suitable conduction band position and simple preparation,to adjust the carrier kinetics of dye Eosin Y(EY)-sensitized photocatalytic ***,the photocatalytic system with the spatial sepa-ration sites of photogenerated carriers excitation and water reduction reaction was elaborately constructed,that was,dye EY-sensitized BSO(EY/BSO)for photocatalytic H_(2)*** photocatalytic H_(2)-production rate of EY/BSO(257𝜇mol·h^(−1)·g EY^(−1))in the absence of noble metals was 28.6 times higher than that of single EY(∼9𝜇mol·h^(−1)·g EY^(−1))under visible-light *** systematic and comprehensive characterizations,the formed electron transport channel by the bidentate bridging of EY on BSO could accelerate the transfer of photogenerated electrons from EY to BSO,promoting the effective separation of photogenerated carriers for the enhanced pho-tocatalytic ***,the water reduction reaction for H_(2)production proceeded on the surface of BSO that acted as the H_(2)-evolution cocatalyst,avoiding the use of high-cost noble ***,based on the well-proved ETM-based concept in the EY/BSO system,La-doped BaSnO_(3)(LBSO)with better electron trans-port ability was adopted to construct EY/LBSO system(344𝜇mol·h^(−1)·g EY^(−1))which showed better photocatalytic activity than EY/BSO.

关键词： Electron transport material Photocatalytic hydrogen production Barium stannate Dye sensitization

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