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Frontiers in Energy 2024年第2期18卷 206-222页

作者： Cheng YUAN Shiming ZHANG jiujun ZHANG Institute for Sustainable Energy/College of Sciences Shanghai UniversityShanghai 200444China

Platinum(Pt)-based materials are still the most efficient and practical catalysts to drive the sluggish kinetics of cathodic oxygen reduction reaction(ORR)in proton exchange membrane fuel cells(PEMFCs).However,their catalysis and stability performance still need to be further improved in terms of corrosion of both carbon support and Pt catalyst particles as well as Pt loading *** on the developed synthetic strategies of alloying/nanostructuring Pt particles and modifying/innovating supports in developing conventional Pt-based catalysts,Pt single-atom catalysts(Pt SACs)as the recently burgeoning hot materials with a potential to achieve the maximum utilization of Pt are comprehensively reviewed in this *** design thoughts and synthesis of various isolated,alloyed,and nanoparticlecontained Pt SACs are *** single-atomic Pt coordinating with non-metals and alloying with metals as well as the metal-support interactions of Pt single-atoms with carbon/non-carbon supports are emphasized in terms of the ORR activity and stability of the *** advance further research and development of Pt SACs for viable implementation in PEMFCs,various technical challenges and several potential research directions are outlined.

关键词： oxygen reduction electrocatalysis Pt singleatom catalysts conventional Pt-based catalysts design thoughts and synthesis metal-support interactions

Decouple charge transfer reactions in the Li-ion battery

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Journal of Energy Chemistry 2024年第5期92卷 759-798页

作者： Yuxuan Bai Qiu-An Huang Kai Wu jiujun Zhang Institute for Sustainable Energy/College of Sciences Shanghai UniversityShanghai 200444China Ningde Contemporary Innovation Laboratory Contemporary Amperex Technology Co.LimitedNingde 352100FujianChina

In the development of Li-ion batteries(LIBs)with high energy/power density,long cycle-life,fast charging,and high safety,an insight into charge transfer reactions is *** electrochemical impedance spectroscopy(EIS)is regarded as a powerful diagnosis tool,it is not a direct but an indirect *** respect to this,some critical questions need to be answered:(i)why EIS can reflect the kinetics of charge transfer reactions;(ii)what the inherent logical relationship between impedance models under different physical scenes is;(iii)how charge transfer reactions compete with each other at multiple *** work aims at answering these questions via developing a theory framework so as to mitigate the blindness and uncertainty in unveiling charge transfer reactions in *** systematically answer the above questions,this article is organized into a three-in-one(review,tutorial,and research)type and the following contributions are made:(i)a brief review is given for impedance model development of the LIBs over the past half century;(ii)an open source code toolbox is developed based on the unified impedance model;(iii)the competive mechanisms of charge transfer reactions are unveiled based on the developed EIS-Toolbox@*** work not only clarifies theoretical fundamentals,but also provides an easy-to-use open source code for EIS-Toolbox@LIB to optimize fast charge/discharge,mitigate cycle aging,and improve energy/power density.

关键词： Electrochemical impedance spectroscopy Unified impedance model Charge transfer reactions Solid/electrolyte diffusion Porous electrode EIS-Toolbox@LIB

1.42.fold enhancement of formate selectivity by linker conversion on the Zn-based metal organic framework catalyst

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Journal of Energy Chemistry 2024年第3期90卷 183-190,I0006页

作者： Yayu Guan Yuyu Liu Fanghua Ning Jin Yi jiujun Zhang Institute for Sustainable Energy College of SciencesShanghai UniversityShanghai 200444China

Electro-reduction of carbon dioxide(ERCO_(2.) is considered an effective method to alleviate the greenhouse effect and produce value-added *** the dominant selectivity of Zn-based catalysts for formate remains a *** this article,the ZnIn-E_(12. catalyst is successfully prepared by solvent assisted ligand exchange(SALE) method to convert organic ligands,achieving a Faradaic efficiency of 72.2.% for formate at-1.2. V ***(V_(RHE)),which is 1.42.times higher than the original *** shows that the successful conversion of organic ligands can transform the catalyst from the original large size polyhedron to cross-linked network of particles with a diameter of about 30 *** increased specific surface area can expose more active sites and facilitate the electrocatalytic conversion of CO_(2. to *** work is expected to provide inspiration for the regulation of formate selectivity and catalyst size in Zn-based catalysts.

关键词： Electrocatalyst Carbon dioxide Formate Linker conversion

Special issue on electrochemical energy storage and conversion

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Frontiers in Energy 2024年第2期18卷 125-127页

作者： Yun ZHENG Gaixia ZHANG Sixu DENG jiujun ZHANG Institute of New Energy Materials and Engineering School of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China Department of Electrical Engineering École de Technologie Supérieure(ÉTS)Universitédu QuébecMontréalH3C 1K3Canada Department of Chemical and Materials Engineering Concordia UniversityMontrealQC H3G 1M8Canada

The escalating global consumption of fossil fuels has significantly elevated the levels of CO_(2.in the atmosphere,leading to an undesirable global energy crisis and environmental *** deployment of renewable energy resources is crucial to mitigate these *** recent years,there has been noteworthy progress in electrochemical energy storage and conversion techniques and devices,including hydrogen energy and fuel cells,advanced energy storage and power batteries,and CO_(2.electrochemical conversion and utilization.

关键词： electrochemical energy elevated

Low carbon alcohol fuel electrolysis of hydrogen generation catalyzed by a novel and effective Pt–CoTe/C bifunctional catalyst system

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Green Energy & Environment 2024年第4期9卷 758-770页

作者： Yang Zhou Lice Yu Jinfa Chang Ligang Feng jiujun Zhang School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou225002JiangsuChina NanoScience Technology Center University of Central FloridaOrlandoFL32826USA College of Sciences&Institute for Sustainable Energy Shanghai UniversityShanghai200444China

Low carbon alcohol fuels electrolysis under ambient conditions is promising for green hydrogen generation instead of the traditional alcohol fuels steam reforming technique,and highly efficient bifunctional catalysts for membrane electrode fabrication are required to drive the electrolysis ***,the efficient catalytic promotion effect of a novel catalyst promoter,CoTe,on Pt is demonstrated for low carbon alcohol fuels of methanol and ethanol electrolysis for hydrogen *** and density functional theory calculation results indicate that the optimized electronic structure of Pt–CoTe/C resulting from the synergetic effect between Pt and CoTe further regulates the adsorption energies of CO and H*that enhances the catalytic ability for methanol and ethanol ***,the good water activation ability of CoTe and the strong electronic effect of Pt and CoTe increased the tolerance ability to the poisoning species as demonstrated by the CO-stripping *** high catalytic kinetics and stability,as well as the promotion effect,were also carefully ***,71.9%and 75.5%of the initial peak current density was maintained after 1000 CV cycles in acid electrolyte for methanol and ethanol oxidation;and a low overpotential of 30 and 35 mV was required to drive the hydrogen evolution reaction in methanol and ethanol solution at the current density of 10 mA cm^(-2..In the two-electrode system for alcohol fuels electrolysis,using the optimal Pt–CoTe/C catalyst as bi-functional catalysts,the cell potential of 0.66 V(0.67 V)was required to achieve 10 mA cm^(-2. for methanol(ethanol)electrolysis,much smaller than that of water electrolysis(1.76 V).The current study offers a novel platform for hydrogen generation via low carbon alcohol fuel electrolysis,and the result is helpful to the catalysis mechanism understanding of Pt assisted by the novel promoter.

关键词： Methanol electrolysis Ethanol electrolysis Cobalt telluride Pt-based electrocatalyst Hydrogen evolution reaction

Special issue on electrochemical conversion and utilization of hydrogen energy

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Frontiers in Energy 2024年第3期18卷 263-264页

作者： Yun ZHENG Bo YU Xiaogang FU jiujun ZHANG Institute of New Energy Materials and Engineering School of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China State Key Laboratory of Solidification Processing Atomic Control&Catalysis Engineering LaboratorySchool of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi’an 710072China Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijing 100084China

The concerns over energy crisis and climate change caused by the excessive consumption of fossil fuels and the associated emission of greenhouse gases, have driven many countries to develop policies for an energy transition into zero-carbon energy sources, essentially aiming at decarbonizing their energy systems. Among various renewable sources, hydrogen has been hailed as an ideal alternative to provide secure, cost-effective, and non-polluting energy. In recent years, there has been noteworthy progress in hydrogen electrochemical conversion and utilization techniques and devices, including water electrolyzers, proton-exchange membrane fuel cells (PEMFCs), solid oxide fuel cells (SOFCs), etc. Each of these technologies has yielded a series of encouraging advances. To showcase these recent advances, Frontiers in Energy is launching a special issue titled “electrochemical conversion and utilization of hydrogen energy”.

关键词： hydrogen energy. electrochemical

Advances in doping strategies for sodium transition metal oxides cathodes:A review

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Frontiers in Energy 2024年第2期18卷 141-159页

作者： Zhijing ZHANG Haoze ZHANG Yaopeng WU Wei YAN jiujun ZHANG Yun ZHENG Lanting QIAN Department of Chemical Engineering Waterloo Institute of NanotechnologyUniversity of WaterlooWaterloo ON N2L 3G1Canada School of Mechanical and Automotive Engineering South China University of TechnologyGuangzhou 510640China Institute of New Energy Materials Science and Engineering School of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China

The electrochemistry of cathode materials for sodium-ion batteries differs significantly from lithium-ion batteries and offers distinct ***,the progress of commercializing sodium-ion batteries is currently impeded by the inherent inefficiencies exhibited by these cathode materials,which include insufficient conductivity,slow kinetics,and substantial volume changes throughout the process of intercalation and deintercalation ***,numerous methodologies have been utilized to tackle these challenges,encompassing structural modulation,surface modification,and elemental *** paper aims to highlight fundamental principles and strategies for the development of sodium transition metal oxide ***,it emphasizes the role of various elemental doping techniques in initiating anionic redox reactions,improving cathode stability,and enhancing the operational voltage of these cathodes,aiming to provide readers with novel perspectives on the design of sodium metal oxide cathodes through the doping approach,as well as address the current obstacles that can be overcome/alleviated through these dopant strategies.

关键词： sodium-ion batteries transition metal cathode doping strategy

Enhanced vision-transformer integrating with semi-supervised transfer learning for state of health and remaining useful life estimation of lithium-ion batteries

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Energy and AI

Energy and AI 2024年第3期17卷 380-396页

作者： Ya-Xiong Wang Shangyu Zhao Shiquan Wang Kai Ou jiujun Zhang School of Mechanical Engineering and Automation Fuzhou UniversityFuzhou 350108China College of Materials Science and Engineering Fuzhou UniversityFuzhou 350108China

The state of health(SOH)and remaining useful life(RUL)of lithium-ion batteries are crucial for health management and ***,most data-driven estimation methods heavily rely on scarce labeled data,while traditional transfer learning faces challenges in handling domain shifts across various battery *** paper proposes an enhanced vision-transformer integrating with semi-supervised transfer learning for SOH and RUL estimation of lithium-ion batteries.A depth-wise separable convolutional vision-transformer is developed to extract local aging details with depth-wise convolutions and establishes global dependencies between aging information using multi-head *** mean discrepancy is employed to initially reduce the distribution difference between the source and target domains,providing a superior starting point for fine-tuning the target domain ***,the abundant aging data of the same type as the target battery are labeled through semi-supervised learning,compensating for the source model's limitations in capturing target battery aging *** regularization incorporates the cross-entropy between predictions with and without adversarial perturbations into the gradient backpropagation of the overall *** particular,across the experimental groups 13–15 for different types of batteries,the root mean square error of SOH estimation was less than 0.66%,and the mean relative error of RUL estimation was 3.86%.Leveraging extensive unlabeled aging data,the proposed method could achieve accurate estimation of SOH and RUL.

关键词： State of health(S0H) Remaining useful life(RUL) Depth-wise separable convolutional vision-transformer Transfer learning Maximum mean discrepancy Semi supervised learning

Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface:A First‑Principles Study

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Nano-Micro Letters 2024年第6期16卷 180-191页

作者： Xiaoyu Liu Yiming Guo Fanghua Ning Yuyu Liu Siqi Shi Qian Li jiujun Zhang Shigang Lu Jin Yi Institute for Sustainable Energy&Department of Chemistry Shanghai UniversityShanghai 200444People’s Republic of China School of Materials Science and Engineering Shanghai UniversityShanghai 200444People’s Republic of China College of Materials Science and Engineering National Engineering Research Center for Magnesium AlloysChongqing UniversityChongqing 400044People’s Republic of China

Hydrogen evolution reaction(HER)has become a key factor affecting the cycling stability of aqueous Zn-ion batteries,while the corresponding fundamental issues involving HER are still ***,the reaction mechanisms of HER on various crystalline surfaces have been investigated by first-principle calculations based on density functional *** is found that the Volmer step is the ratelimiting step of HER on the Zn(002.and(100)surfaces,while,the reaction rates of HER on the Zn(101),(102.and(103)surfaces are determined by the Tafel ***,the correlation between HER activity and the generalized coordination number(CN)of Zn at the surfaces has been *** relatively weaker HER activity on Zn(002.surface can be attributed to the higher CN of surface Zn *** atomically uneven Zn(002.surface shows significantly higher HER activity than the flat Zn(002.surface as the CN of the surface Zn atom is *** CN of surface Zn atom is proposed as a key descriptor of HER *** the CN of surface Zn atom would be a vital strategy to inhibit HER on the Zn anode surface based on the presented theoretical ***,this work provides a theoretical basis for the in-depth understanding of HER on the Zn surface.

关键词： Aqueous Zn-ion battery Zn anode Hydrogen evolution reaction Coordination number First-principles calculation

High-entropy catalysts for electrochemical water-electrolysis of hydrogen evolution and oxygen evolution reactions

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Frontiers in Energy 2024年第3期18卷 265-290页

作者： Simiao SHA Riyue GE Ying LI Julie M.CAIRNEY Rongkun ZHENG Sean LI Bin LIU jiujun ZHANG Wenxian LI School of Materials Science and Engineering Shanghai UniversityShanghai 200444China School of Chemical and Environmental Engineering Anhui Polytechnic UniversityWuhu 241000China Australian Centre for Microscopy and Microanalysis School of AerospaceMechanical and Mechatronic EngineeringThe University of SydneySydney NSW 2006Australia School of Physics The University of SydneySydney NSW 2006Australia School of Materials Science and Engineering UNSW Materials&Manufacturing Futures InstituteUniversity of New South WalesSydney NSW 2052Australia College of Materials Science and Engineering Fuzhou UniversityFuzhou 350108China

High entropy materials (HEMs) have developed rapidly in the field of electrocatalytic water-electrolysis for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) due to their unique properties. In particular, HEM catalysts are composed of many elements. Therefore, they have rich active sites and enhanced entropy stability relative to single atoms. In this paper, the preparation strategies and applications of HEM catalysts in electrochemical water-electrolysis are reviewed to explore the stabilization of HEMs and their catalytic mechanisms as well as their application in support green hydrogen production. First, the concept and four characteristics of HEMs are introduced based on entropy and composition. Then, synthetic strategies of HEM catalysts are systematically reviewed in terms of the categories of bottom-up and top-down. The application of HEMs as catalysts for electrochemical water-electrolysis in recent years is emphatically discussed, and the mechanisms of improving the performance of electrocatalysis is expounded by combining theoretical calculation technology and ex-situ/in situ characterization experiments. Finally, the application prospect of HEMs is proposed to conquer the challenges in HEM catalyst fabrications and applications.

关键词： high-entropy electrocatalysis synthetic methods water-electrolysis hydrogen and oxygen evolutions