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Progress in Natural Science:Materials International 2024年第2期34卷 338-344页

作者： Yuan Li Pengfei Huang Chunyu Cui Xiaoyuan Ma Li Chen Zekun Li Linhai Li Yuhong Tian school of Biological and chemical engineering Guangxi University of Science and Technology school of College of Chemistry and chemical engineering Hunan University Isky Future energy Institute

Li metal batteries（LMBs） have attracted much attention due to the ultra-high theoretical capacity of the Li metal anode（LMA）.However,the uncontrollable dendrites growth and low coulombic efficiency hinder their practical ***,we explore 3,5-difluoropyridine（2F-BD） as a novel electrolyte additive to enable highperformance *** 2F-BD additive participates in and modifies the solvation structure of Li ions by reducing the coordinated number of PF6-at the electrode surface,leading to the formation of a LiF and Li3N-rich solid electrolyte interphase（SEI）.The LiF component increases the robustness of SEI and suppresses the formation of Li dendrites,while the Li3N component facilitates the transportation and reaction kinetics of Li *** a result,the Li‖Li symmetric cell presents a stable cycling performance of up to 500 h at a current density of 1 mA *** coupling with LiFePO4cathode,the obtained full cell achieves high specific capacities of 106.06 mA h g-1and 84.98 mA h g-1at 2.55 mA cm-2and 5.10 mA cm-2,respectively,and maintains a high capacity retention of84.0% after 1000 cycles at 0.13 mA cm-2,with an average cycling CE of 99.58%.

关键词： Electrolyte additive Li dendrites Li metal batteries LiF and Li3N-Rich electrode-electrolyte interphase LiFePO4 cathode

Design of dual-functional protic porous ionic liquids for boosting selective extractive desulfurization

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Petroleum Science 2024年第4期21卷 2817-2829页

作者： Jin-Rui Zhang Jie Yin Jing He Hong-Shun Ran Wei Jiang Hong-Ping Li Wen-Shuai Zhu Hua-Ming Li Ming Zhang school of the Environment and Safety engineering & Institute for energy Research Jiangsu University school of Chemistry and chemical engineering Jiangsu University

Porous ionic liquids have demonstrated excellent performance in the field of separation, attributed to their high specific surface area and efficient mass transfer. Herein, task-specific protic porous ionic liquids(PPILs) were prepared by employing a novel one-step coupling neutralization reaction strategy for extractive desulfurization. The single-extraction efficiency of PPILs reached 75.0% for ***, adding aromatic hydrocarbon interferents resulted in a slight decrease in the extraction efficiency of PPILs(from 45.2% to 37.3%, 37.9%, and 33.5%), indicating the excellent extraction selectivity of PPILs. The experimental measurements and density functional theory calculations reveal that the surface channels of porous structures can selectively capture dibenzothiophene by the stronger electrophilicity(Eint(HS surface channel/DBT)=-39.8 kcal mol-1), and the multiple extraction sites of ion pairs can effectively enrich and transport dibenzothiophene from the oil phase into PPILs through π...π, C-H...π and hydrogen bonds interactions. Furthermore, this straightforward synthetic strategy can be employed in preparing porous liquids, offering new possibilities for synthesizing PPILs with tailored functionalities.

关键词： Protic porous ionic liquids Extractive desulfurization Selectivity Density functional theory

Advanced oxidation via the synergy of C-defective/C-O band modified ultrathin porous g-C3N4 and PMS for efficient photothermal degradation of bisphenol pollutants and lignin derivatives

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Green energy & Environment 2024年第7期9卷 1159-1170页

作者： Liquan Jing Meng Xie Yuanguo Xu Chun Tong Xia Du Heng Zhao Na Zhong Huaming Li Jinguang Hu school of Chemistry and chemical engineering Jiangsu University Department of chemical and Petroleum engineering University of Calgary school of Pharmacy Jiangsu University school of Material Science & chemical engineering Harbin University of Science and Technology Institute for energy Research Jiangsu University

This work uses thermal polymerization of urea nitrate, oxyacetic acid and urea as the raw material to prepare ultra-thin porous carbon nitride with carbon defects and C-O band（OA-UN-CN）. Density functional theory（DFT） calculations showed OA-UN-CN had narrower band gap,faster electron transport and a new internal construction electric field. Additionally, the prepared OA-UN-CN significantly enhanced photocatalytic activation of peroxymonosulfate（PMS） due to enhanced light absorption performance and faster electron overflow. As the result, the OA-UN-CN/PMS could entirely degrade bisphenol A（BPA） within 30 min, where the photodegradation rate was 81.8 and 7.9 times higher than that of g-C3N4and OA-UN-CN, respectively. Beyond, the OA-UN-CN/PMS could likewise degrade other bisphenol pollutants and sodium lignosulfonate efficiently. We suggested possible photocatalytic degradation pathways accordingly and explored the toxicity of its degradation products. This work provides a new idea on the development of advanced photocatalytic oxidation processes for the treatment of bisphenol pollutants and lignin derivatives, via a metal-free photothermal-catalyst.

关键词： Photothermal-catalytic G-C 3 N 4 Peroxymonosulfate Bisphenol Sodium lignosulfonate

Application of supervised machine learning to predict the enhanced gas recovery by CO2 injection in shale gas reservoirs

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Petroleum 2024年第1期10卷 124-134页

作者： Moataz Mansi Mohamed Almobarak Jamiu Ekundayo Christopher Lagat Quan Xie Discipline of Petroleum engineering WA School of Mines: Minerals Energy and Chemical Engineering Curtin University

The technique of Enhanced Gas Recovery by CO2injection（CO2-EGR） into shale reservoirs has brought increasing attention in the recent decade. CO2-EGR is a complex geophysical process that is controlled by several parameters of shale properties and engineering design. Nevertheless, more challenges arise when simulating and predicting CO2/CH4displacement within the complex pore systems of shales. Therefore,the petroleum industry is in need of developing a cost-effective tool/approach to evaluate the potential of applying CO2injection to shale reservoirs. In recent years, machine learning applications have gained enormous interest due to their high-speed performance in handling complex data and efficiently solving practical problems. Thus, this work proposes a solution by developing a supervised machine learning（ML） based model to preliminary evaluate CO2-EGR efficiency. Data used for this work was drawn across a wide range of simulation sensitivity studies and experimental investigations. In this work, linear regression and artificial neural networks（ANNs） implementations were considered for predicting the incremental enhanced CH4. Based on the model performance in training and validation sets, our accuracy comparison showed that（ANNs） algorithms gave 15% higher accuracy in predicting the enhanced CH4compared to the linear regression model. To ensure the model is more generalizable, the size of hidden layers of ANNs was adjusted to improve the generalization ability of ANNs model. Among ANNs models presented, ANNs of 100 hidden layer size gave the best predictive performance with the coefficient of determination（R2） of 0.78 compared to the linear regression model with R2of 0.68. Our developed MLbased model presents a powerful, reliable and cost-effective tool which can accurately predict the incremental enhanced CH4by CO2injection in shale gas reservoirs.

关键词： Artificial intelligence Supervised Machine Learning Shale Gas Enhanced Shale Gas Recovery CO 2 Injection CO 2 sequestration

Tuning Li/Ni mixing by reactive coating to boost the stability of cobalt-free Ni-rich cathode

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Journal of energy Chemistry 2024年第10期97卷 20-29页

作者： Fanghui Du Xitong Zhang Yingchao Wang Lei Ding Pengfang Zhang Lingyang Liu Dong Wang Jianzong Man Yuling Chen Yunwu Li Shandong Provincial Key Laboratory of chemical energy Storage and Novel Cell Technology and School of Chemistry and Chemical Engineering Liaocheng University school of Materials Science and engineering Yancheng Institute of Technology

Cobalt-free cathode materials are attractive for their high capacity and low cost,yet they still encounter issues with structural and surface ***4,in particular,has garnered attention as an effective stabilizer for bulk and ***,the impact of interfacial reactions and elemental interdiffusion between AlPO4and LiNi0.95Mn0.05O2upon sintering on the bulk and surface remains *** this study,we demonstrate that during the heat treatment process,AlPO4decomposes,resulting in Al doping into the bulk of the cathode through elemental ***,PO43-reacts with the surface Li of material to form a Li3PO4coating,inducing lithium deficiency,thereby increasing Li/Ni *** suitable Li/Ni mixing,previously overlooked in AlPO4modification,plays a pivotal role in stabilizing the bulk and surface,exceeding the synergy of Al doping and *** presence of Ni2+ions in the lithium layers contributes to the stabilization of the delithiated structure via a structural pillar ***,suitable Li/Ni mixing can stabilize the lattice oxygen and electrode-electrolyte interface by increasing oxygen removal energy and reducing the overlap between the Ni3+/4+egand O2-2p *** findings offer new perspectives for the design of stable cobalt-free cathode materials.

关键词： Al doping Cobalt-free Ni-rich cathode Li/Ni mixing Li3PO4 coating Lithium-ion batteries

Enhanced High-Temperature Cycling Stability of Garnet-Based All Solid-State Lithium Battery Using a Multi-Functional Catholyte Buffer Layer

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Nano-Micro Letters 2024年第7期16卷 59-73页

作者： Leqi Zhao Yijun Zhong Chencheng Cao Tony Tang Zongping Shao WA school of Mines:Minerals Energy and Chemical EngineeringCurtin UniversityPerthWA 6102Australia

The pursuit of safer and high-performance lithium-ion batteries(LIBs)has triggered extensive research activities on solid-state batteries,while challenges related to the unstable electrode-electrolyte interface hinder their practical *** has been used extensively to improve the cathode-electrolyte interface in garnet-based all-solid-state LIBs(ASSLBs),while it introduces new concerns about thermal *** this study,we propose the incorporation of a multi-functional flame-retardant triphenyl phos-phate additive into poly(ethylene oxide),acting as a thin buffer layer between LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)cathode and garnet *** electrochemical stability tests,cycling performance evaluations,interfacial thermal stability analysis and flammability tests,improved thermal stability(capacity retention of 98.5%after 100 cycles at 60℃,and 89.6%after 50 cycles at 80℃)and safety characteristics(safe and stable cycling up to 100℃)are *** on various materials characterizations,the mechanism for the improved thermal stability of the interface is *** results highlight the potential of multi-functional flame-retardant additives to address the challenges associated with the electrode-electrolyte interface in ASSLBs at high *** thermal modification in ASSLBs operating at elevated temperatures is also essential for enabling large-scale energy storage with safety being the primary concern.

关键词： Solid-state battery Cathode electrolyte interlayer Flame-retardant additive Cycling stability Interfacial stability

Insights into the role of oxygen-containing functional groups on carbon surface in water–electricity generation

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Nano Research 2024年第7期17卷 6645-6653页

作者： Wan Xue Zongbin Zhao Honghui Bi Bolun Zhang Xuzhen Wang Jieshan Qiu State Key Laboratory of Fine chemicals Liaoning Key Laboratory for Energy Materials and Chemical EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China State Key Laboratory of Fine chemicals Liaoning Key Laboratory for Energy Materials and Chemical EngineeringSchool of ChemistryDalian University of TechnologyDalian 116024China State Key Laboratory of chemical Resource engineering College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China

A deep understanding of the electricity generation mechanism from the interaction between water molecules and carbon material surfaces is attractive for next-generation water-based energy conversion and storage ***,an asymmetric generator was assembled based on functionalized carbon nanotubes films to investigate the relative contribution from various oxygen functional groups on carbon surface to the water-electrical *** and calculations demonstrate that the electricity mainly originates from the water molecule adsorption by carboxyl groups and dissociation of functional groups on carbon surface,which leads to the formation of electrical double layers at *** device allows the electricity generation with a variety of water sources,such as deionized water,tap water,as well as *** particular,the generator based on carboxyl carbon nanotubes can induce a voltage of over 200 mV spontaneously in natural seawater with the power density of about 0.11 mW·g^(−1).High voltages can be achieved easily through the series-connection strategy to power electronic products such as a liquid crystal *** work reveals the dominant role of carboxyl groups in carbon-based water–electricity conversion and is expected to offer inspiration for the preparation of carbon materials with high electrical performance.

关键词： electricity generation water adsorption dissociation carboxyl groups carbon nanotubes

Rapid and stable calcium-looping solar thermochemical energy storage via co-doping binary sulfate and Al±Mn±Fe oxides

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Green energy & Environment 2024年第8期9卷 1290-1305页

作者： Changjian Yuan Xianglei Liu Xinrui Wang Chao Song Hangbin Zheng Cheng Tian Ke Gao Nan Sun Zhixing Jiang Yimin Xuan Yulong Ding school of energy and Power engineering Nanjing University of Aeronautics and Astronautics Key Laboratory of Thermal Management and energy Utilization of Aviation Vehicles Ministry of Industry and Information Technology Birmingham Centre for energy Storage School of Chemical Engineering University of Birmingham

Solar thermochemical energy storage based on calcium looping（CaL） process is a promising technology for next-generation concentrated solar power（CSP） systems. However, conventional calcium carbonate（CaCO3） pellets suffer from slow reaction kinetics, poor stability, and low solar absorptance. Here, we successfully realized high power density and highly stable solar thermochemical energy storage/release by synergistically accelerating energy storage/release via binary sulfate and promoting cycle stability, mechanical strength, and solar absorptance via Al±Mn±Fe oxides. The energy storage density of proposed CaCO3pellets is still as high as 1455 kJ kg-1with only a slight decay rate of 4.91% over 100 cycles, which is higher than that of state-of-the-art pellets in the literature, in stark contrast to 69.9% of pure CaCO3pellets over 35cycles. Compared with pure CaCO3, the energy storage power density or decomposition rate is improved by 120% due to lower activation energy and promotion of Ca2+diffusion by binary sulfate. The energy release or carbonation rate rises by 10% because of high O2-transport ability of molten binary sulfate. Benefiting from fast energy storage/release rate and high solar absorptance, thermochemical energy storage efficiency is enhanced by more than 50% under direct solar irradiation. This work paves the way for application of direct solar thermochemical energy storage techniques via achieving fast energy storage/release rate, high energy density, good cyclic stability, and high solar absorptance simultaneously.

关键词： Calcium looping (CaL) Solar thermochemical energy storage Binary sulfate Fast reaction kinetics

Performance Improvement of Two-Phase Steam Ejector based on CFD Techniques,Response Surface Methodology and Genetic Algorithm

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Journal of Thermal Science 2024年第2期33卷 675-695页

作者： ZHANG Hao ZHAO Hongxia ZHANG Xiuao ZENG Hongxuan DENG Jianqiang school of energy and Power engineering Shandong UniversityJi’nan250061China school of chemical engineering and Technology Xi’an Jiaotong UniversityXi’an710049China

The steam ejector is a crucial component in the waste heat recovery *** performance determines the amount of recovered heat and system ***,poor ejector performance has always been the main bottleneck for system ***,this study proposes an optimization methodology to improve the steam ejector's performance by utilizing computational fluid dynamics(CFD) techniques,response surface methodology(RSM),and genetic algorithm(GA).Firstly,a homogeneous equilibrium model(HEM) was established to simulate the two-phase flow in the steam ***,the orthogonal test was presented to the screening of the key decision variables that have a significant impact on the entrainment ratio(ER).Next,the RSM was used to fit a response surface regression model(RSRM).Meanwhile,the effect of the interaction of geometric parameters on the performance of the steam ejector was ***,GA was employed to solve the RSRM's global optimal ER *** results show that the RSRM exhibits a good fit for ER(R^(2)=0.997).After RSM and GA optimization,the maximum ejector efficiency is 27.94%,which is 48.38% higher than the initial ejector of 18.83%.Furthermore,the optimized ejector efficiency is increased by 46.4% on average under off-design ***,the results reveal that the combination of CFD,RSM,and GA presents excellent reliability and feasibility in the optimization design of a two-phase steam ejector.

关键词： two-phase steam ejector optimization methodology CFD techniques response surface methodology genetic algorithm homogeneous equilibrium model

S-scheme regulated Ni_(2)P-NiS/twinned Mn_(0.5)Cd_(0.5)S hetero-homojunctions for efficient photocatalytic H_(2)evolution

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Journal of Materials Science & Technology 2024年第2期169卷 148-157页

作者： Qiqi Zhang Zhen Wang Yuhang Song Jun Fan Tao Sun Enzhou Liu school of chemical engineering/Xi’an Key Laboratory of Special energy Materials Northwest UniversityXi’an 710069China

Effective bulk phase and surface charge separation is critical for charge utilization during the photo-catalytic energy conversion *** this work,the ternary Ni_(2)P-NiS/twinned Mn_(0.5)Cd_(0.5)S(T-MCS)nanohybrids were successfully constructed via combining Ni_(2)P-NiS with T-MCS solid solution for visible light photocatalytic H_(2)evolution.T-MCS is composed of zinc blende Mn_(0.5)Cd_(0.5)S(ZB-MCS)and wurtzite Mn_(0.5)Cd_(0.5)S(WZ-MCS)and those two alternatively arranged crystal phases endow T-MCS with excellent bulk phase charge separation performance for the slight energy level difference between ZB-MCS and WZ-MCS.S-scheme carriers transfer route between NiS and T-MCS can accelerate the interfacial charge separation and retain the active electrons and holes,meanwhile,co-catalyst Ni_(2)P as electron receiver and proton reduction center can further optimize the H_(2)evolution reaction kinetics based on the surface Schottky barrier *** above-formed homo-heterojunctions can establish multiple charge transfer channels in the bulk phase of T-MCS and interface of T-MCS and Ni_(2)*** the synergistic effect of twinned homojunction,S-scheme heterojunction,and Schottky barrier,the ternary Ni_(2)P-NiS/T-MCS com-posite manifested an H_(2)production rate of 122.5 mmol h^(-1)g^(-1),which was 1.33,1.24,and 2.58 times higher than those of the NiS/T-MCS(92.4 mmol h^(-1)g^(-1)),Ni_(2)P/T-MCS(98.4 mmol h^(-1)g^(-1)),and T-MCS(47.5 mmol h^(-1)g^(-1)),*** work demonstrates a promising strategy to develop efficient sul-fides photocatalyst toward targeted solar-driven H_(2)evolution through homo-heterojunction engineering.

关键词： Photocatalytic H_(2)evolution Twinned Mn_(0.5)Cd_(0.5)S Homojunction S-scheme heterojunction Schottky barrier