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Sulfur atom occupying surface oxygen vacancy to boost the charge transfer and stability for aqueous Bi2O3 electrode

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Journal of Energy Chemistry 2025年第2期101卷 751-759页

作者： Guangmin Yang Jianyan Lin Guanwu Li Tian Li Dong Wang Weitao Zheng College of Physics Changchun Normal University school of Materials Science and engineering Northwestern Polytechnical University Key Laboratory of automobile Materials of MOE School of Materials Science and Engineering and Jilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy Materials Jilin University

Oxygen vacancies（Ov） within metal oxide electrodes can enhance mass/charge transfer dynamics in energy storage ***,construction of surface Ovoften leads to instability in electrode structure and irreversible electrochemical reactions,posing a significant *** overcome these challenges,atomic heterostructures are employed to address the structural instability and enhance the mass/charge transfer dynamics associated with phase conversion mechanism in aqueous electrodes,Herein,we introduce an atomic S-Bi2O3heterostructure(sulfur（S） anchoring on the surface Ovof Bi2O3).The integration of S within Bi2O3lattice matrix triggers a charge imbala nce at the heterointerfaces,ultimately resulting in the creation of a built-in electric field（BEF）.Thus,the BEF attracts OH-ions to be adsorbed onto Bi within the regions of high electron cloud overlap in S-Bi2O3,facilitating highly efficient charge ***,the anchored S plays a pivotal role in preserving structural integrity,thus effectively stabilizing the phase conversion reaction of *** a result,the S-Bi2O3electrode achieves72.3 mA h g-1at 10 A g-1as well as high-capacity retention of 81.9% after 1600 *** innovative SBi2O3design presents a groundbreaking approach for fabricating electrodes that exhibit efficient and stable mass and charge transfer ***,it enhances our understanding of the underlying reaction mechanism within energy storage electrodes.

关键词： Anchoring effect Atomic heterostructure Charge/mass transfer Oxygen vavancy Structural integrity

Physics-informed battery degradation prediction:Forecasting charging curves using one-cycle data

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Journal of Energy Chemistry 2025年第2期101卷 825-836页

作者： Aihua Tang Yuchen Xu Jinpeng Tian Xing Shu Quanqing Yu Key Laboratory of Advanced Manufacturing Technology for automobile Parts Ministry of Education Chongqing University of Technology Department of Electrical and Electronic engineering and Research Centre for Grid Modernization The Hong Kong Polytechnic University school of Automotive engineering Harbin Institute of Technology

Accurately predicting battery degradation is crucial for battery system ***,due to the complexities of aging mechanisms and limitations of historical data,comprehensively indicating battery degradation solely through maximum capacity loss assessment is *** machine learning offers promising solutions,it often overlooks domain knowledge,resulting in reduced accu racy,increased computational burden and decreased ***,this study proposes a method to predict the voltage-capacity（V-Q） curve during battery degradation with limited historical *** process is achieved through two physically interpretable components:a lightweight interpretable physical model and a physics-informed neural *** components incorporate domain knowledge into machine learning to improve V-Q curve prediction performance and enhance *** validation was conducted on 52 batteries of different types under different testing *** proposed method can accurately predict future *** for hundreds of cycles using only one-present-cycle V-Q curve,with root mean square error and mean absolute error basically less than 0.035 Ah and R2basically less than 98.5%.This means that incremental capacity curves can be extracted from the predicted results for a more comprehensive and accurate battery degradation ***,the method can flexibly adjust prediction length and density to cater to the practical needs of long-cycle prediction and data *** study provides a viable method for rapid degradation prediction and is expected to be generalized to in-vehicle implementations.

关键词： Degradation prediction Lightweight interpretable physical model Lithium-ion battery Physics-informed neural network Voltage-capacity curve

Electro-functionalized 2D nitrogen-carbon nanosheets decorated with symbiotic cobalt single-atoms/clusters

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Journal of Energy Chemistry 2025年第2期101卷 385-391页

作者： Xinyan Zhou Sifan Qiao Zhenzhen Zhao Meiqi Liu Kexin Song Fuxi Liu Nailin Yue Xiujuan Li Meng Zou Wei Zhang Key Laboratory of automobile Materials MOE and School of Materials Science & Engineering and Electron Microscopy Center and International Center of Future Science and Jilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy Materials Jilin University Key Laboratory of Bionic engineering Ministry of Education Jilin University

Two-dimensional（2D） materials loaded with single atoms and clusters are being set at the forefront of catalysis due to their distinctive geometric and electronic ***,the usually-complicated synthesis procedures impede in-depth clarification of their catalytic *** this end,herein we developed an efficient one-step dimension-reduction carbonization strategy,with which we successfully architected a highly-efficient catalyst for oxygen reduction reaction（ORR）,featured with symbiotic cobalt single atoms and clusters decorated in two-dimensional（2D） ultra-thin（3.5 nm thickness）nitrogen-carbon *** synergistic effects of the two components afford excellent oxygen reduction activity in alkaline media(E1/2=0.823 V ***) and thereof a high power density(146.61 mW cm-2) in an assembled Zn-air *** revealed by theoretical calculations,the cobalt clusters can regulate electrons surrounding those individual atoms and affect the adsorption of intermediate *** a consequence,the derived active sites of single cobalt atoms lead to a significant improvement of the ORR ***,our work may fuel interests to delicate architectu re of single atoms and clusters coexisting 2D support toward optimal electrocatalytic performance.

关键词： Carbon-Nitrogen Nanosheets Oxygen reduction reaction Single atoms and clusters Two-dimensional

The optimal control theory——a scientific approach to fundamentally solving control problems

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Science China(Information Sciences) 2025年第1期68卷 389-391页

作者： Huanshui ZHANG school of Electrical and Automation engineering Shandong University of Science and Technology school of Control Science and engineering Shandong University

The maximum principle has bridged mathematical optimization to optimal control,ushering in significant developments and refinements in optimal control theory,notably during the 1960s with the advent of linear quadratic (LQ)control and linear quadratic estimation (LQE).This progression propelled optimal control theory into further advancements,encompassing stochastic control,robust/H-infinity control,model predictive control (MPC),networked control,and reinforcement learning *** control,established upon a rigorous mathematical foundation,extends static optimization theory to dynamic systems,exhibiting scientific essence,unity,and ***,since its inception,optimal control theory has served as an indispensable core role across all control-related domains,including communication-constrained control in networked systems,consensus control,cooperative control,and reinforcement learning control.

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Porous framework materials for CO2 capture

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Journal of Energy Chemistry 2025年第2期101卷 278-297页

作者： Ziying Zhang Yu Dai Shiyi Zhang Liyi Chen Jian Gu Yong Wang Weiwei Sun school of Environmental and Chemical engineering Shanghai University

Due to the significant impact of carbon dioxide on global ecology,more efforts have been put into the exploration on CO2capture and *** organic framework materials,as a kind of materials with high porosity and designable structure,have been considered as effective host materials for adsorbing carbon dioxide or separating it from other *** review gives a deep insight into the applications of metal-organic frameworks,covalent-organic frameworks,and other porous frameworks on CO2capture,focusing on the enhanced capture performances originated from their high surface area with abundant porous structure,functional groups with specific heteroatoms modification,or other building unit ***,the main challenges associated with porous frameworks for CO2capture and proposed strategies to address these obstacles,including the structural design strategy or the capture mechanism exploration,have been demonstrated and *** review can contribute to further investigation on porous frameworks for gas capture and separation with enhanced performance and efficiency.

关键词： Adsorption mechanism CO2 capture Modification Organic frameworks

On the interfacial behavior of a one-dimensional hexagonal piezoelectric quasicrystal film based on the beam theory

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Applied Mathematics and Mechanics(English Edition) 2025年第2期46卷 289-304页

作者： Wenkai ZHANG C.S.LU Minghao ZHAO Cuiying FAN Huayang DANG school of Mechanics and Safety engineering Zhengzhou University school of Civil and Mechanical engineering Curtin University school of Mechanical engineering Zhengzhou University

In this paper, the mechanical response of a one-dimensional (1D) hexagonal piezoelectric quasicrystal (PQC) thin film is analyzed under electric and temperature loads. Based on the Euler-Bernoulli beam theory, a theoretical model is proposed, resulting in coupled governing integral equations that account for interfacial normal and shear stresses. To numerically solve these integral equations, an expansion method using orthogonal Chebyshev polynomials is employed. The results provide insights into the interfacial stresses, axial force, as well as axial and vertical deformations of the PQC ***, fracture criteria, including stress intensity factors, mode angles, and the Jintegral, are evaluated. The solution is compared with the membrane theory, neglecting the normal stress and bending deformation. Finally, the effects of stiffness and aspect ratio on the PQC film are thoroughly discussed. This study serves as a valuable guide for controlling the mechanical response and conducting safety assessments of PQC film systems.

关键词： one-dimensional (1D) hexagonal piezoelectric quasicrystal (PQC) film beam theory electric and temperature loads Chebyshev polynomial interfacial behavior O343.1

A Multi-Condition Sequential Network Ensemble for Industrial Energy Storage Prediction Considering the Condition Switching Characteristics

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IEEE/CAA Journal of Automatica Sinica 2025年第2期12卷 369-380页

作者： Tianyu Wang Fan Zhou Yangjie Wu Jun Zhao Wei Wang IEEE the school of Control Science and engineering Dalian University of Technology the school of Information Science and engineering Dalian Polytechnic University

As a crucial storage and buffering apparatus for balancing the production and consumption of byproduct gases in industrial processes, accurate prediction of gas tank levels is essential for optimizing energy system scheduling. Considering that the continuous switching of the pressure and valve status(mechanism knowledge) would bring about multiple working conditions of the equipment, a multi-condition time sequential network ensembled method is proposed. In order to especially consider the time dependence of different conditions, a centralwise condition sequential network is developed, where the network branches are specially designed based on the condition switching sequences. A branch combination transfer learning strategy is developed to tackle the sample imbalance problem of different condition data. Since the condition or status data are real-time information that cannot be recognized during the prediction process, a pre-trained and ensemble learning approach is further proposed to fuse the outputs of the multi-condition networks and realize a transient-state involved prediction. The performance of the proposed method is validated on practical energy data coming from a domestic steel plant, comparing with the state-of-the-art algorithms. The results show that the proposed method can maintain a high prediction accuracy under different condition switching cases, which would provide effective guidance for the optimal scheduling of the industrial energy systems.

关键词： Ensemble learning industrial energy prediction multi-working condition structural deep network transfer learning

Constructing electrochemically stable single crystal Ni-rich cathode material via modification with high valence metal oxides

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Journal of Energy Chemistry 2025年第02期101卷 392-401页

作者： Hancheng Shi Jiongzhi Zheng Tao Wan Hongqiang Wang Zeping Wen Fenghua Zheng Mingru Su Aichun Dou Yu Zhou Ahmad Naveed Panpan Zhang Hailong Wang Ruiqiang Guo Yunjian Liu Dewei Chu school of Material Science and engineering Jiangsu University Thayer school of engineering Dartmouth College school of Materials Science and engineering The University of New South Wales school of Chemistry and Pharmaceutical Sciences Guangxi Normal University school of Materials and New Energy Ningxia University Thermal Science Research Center Shandong Institute of Advanced Technology

Single crystal Ni-rich cathode materials（SCNCM） are a good supplement in the market of nickel-based materials due to their safety and excellent electrochemical ***,the challenges of cation mixing,phase change during charge/discharge,and low thermal stability remain unresolved in single crystal *** address these issues,SCNCM are rationally modified by incorporating transition metal（TM） oxides,and the influence of metal ions with different valence states on the electrochemical properties of SCNCM is methodically explored through experimental results and theoretical *** structural stability is demonstrated in SCNCM after the modifications,and the degree of improvement in the matrix materials varies depending on the valence state of doped TM *** highest structural stability is found in WO3-modified SCNCM,due to the smaller effective ion radii,higher electro-negativity,stronger W-O bond,and efficient suppression of oxygen vacancy *** a result,WO3-modified SCNCM have outstanding cycle performance,with a capacity retention rate of90.2% after 200 *** study provides an insight into the design of advanced SCNCM with enhanced reversibility and cyclability.

关键词： In-situ coating Ion doping Lithium-ion battery Single crystal Ni-rich material Strengthening mechanism analysis

Recent advances in semi-heterogenous photocatalysis in organic synthesis

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Chinese Chemical Letters 2025年第2期36卷 94-117页

作者： Jia-Cheng Hou Wei Cai Hong-Tao Ji Li-Juan Ou Wei-Min He school of Chemistry and Chemical engineering University of South China school of Pharmaceutical Sciences Hunan University of Medicine school of Materials Science and engineering Hunan Institute of Technology

Semi-heterogeneous photocatalysis has emerged as a powerful and productive platform in organic chemistry, which provides mild and eco-friendly conditions for a diverse range of bond-forming *** synergy of homogeneous catalysts and heterogeneous catalysts inherits their main advantages, such as higher activities, easy separation and superior recyclability. In this review, we summarize the recent advances in recyclable semi-heterogenous protocols for the light promoted bond-forming reactions and identify directions for future research according to the different photocatalysts/metal/redox catalysts involved. Notably, this review is not a comprehensive description of reported literature but aim to highlight and illustrate key concepts, strategies, reaction model, reaction conditions and mechanisms.

关键词： Bond-forming Organic synthesis Photocatalysis Recyclable Semi-heterogeneous