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Journal of Energy Chemistry 2024年第5期92卷 207-215页

作者： yunbo li Jianchao Yue Chaoyi Yang Hongnan Jia Hengjiang Cong Wei Luo College of Chemistry and Molecular Sciences Wuhan UniversityWuhan 430072HubeiChina

Metastable nanostructured electrocatalyst with a completely different surface environment compared to conventional phase-based electrocatalyst often shows distinctive catalytic property.Although Ru-based electrocatalysts have been widely investigated toward hydrogen oxidation reaction(HOR)under alkaline electrolytes,these studies are mostly limited to conventional hexagonal-close-packed(hcp)phase,mainly arising from the lack of sufficient synthesis strategies.In this study,we report the precise synthesis of metastable binary RuW alloy with face-centered-cubic(fcc)phase.We find that the introduction of W can serve as fcc phase seeds and reduce the formation energy of metastable fcc-RuW alloy.Impressively,fcc-RuW exhibits remarkable alkaline HOR performance and stability with the activity of 0.67 mA cm_(Ru)^(-2)which is almost five and three times higher than that of hcp-Ru and commercial Pt/C,respectively,which is attributed to the optimized binding strength of adsorbed hydroxide intermediate derived from tailored electronic structure through W doping and phase engineering.Moreover,this strategy can also be applied to synthesize other metastable fcc-RuCr and fcc-RuMo alloys with enhanced HOR performances.

关键词： Hydrogen oxidation reaction Metastable phase Face-centered cubic(fcc) Ru Phase engineering

Persistence of charge density wave against variation of band structures in V_(x)Ti_(1−x)Se_(2)(x=0–0.1)

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Nano Research 2024年第3期17卷 2129-2135页

作者： Zhanfeng liu Tongrui li Wen Zhu Hongwei Shou Mukhtar Lawan Adam Qilong Cui Yuliang li Sheng Wang yunbo Wu Hongen Zhu Yi liu Shuangming Chen Xiaojun Wu Shengtao Cui li Song Zhe Sun National Synchrotron Radiation Laboratory CAS Center for Excellence in NanoscienceUniversity of Science and Technology of ChinaHefei 230029China CAS Key Laboratory of Strongly-coupled Quantum Matter Physics University of Science and Technology of ChinaHefei 230026China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093China State Key Laboratory of Inorganic Synthesis and Preparative Chemistry College of ChemistryJilin UniversityChangchun 130012China School of Chemistry and Materials Sciences CAS Key Laboratory of Materials for Energy Conversionand CAS Center for Excellence in NanoscienceUniversity of Science and Technology of ChinaHefei 230026China School Zhejiang Institute of Photonelectronics Jinhua 321004China

Charge density wave(CDW)is a phenomenon that occurs in materials,accompanied by changes in their intrinsic electronic properties.The study of CDW and its modulation in materials holds tremendous significance in materials research,as it provides a unique approach to controlling the electronic properties of materials.TiSe_(2) is a typical layered material with a CDW phase at low temperatures.Through V substitution for Ti in TiSe_(2),we tuned the carrier concentration in V_(x)Ti_(1-x)Se_(2) to study how its electronic structures evolve.Angle-resolved photoemission spectroscopy(ARPES)shows that the band-folding effect is sustained with the doping level up to 10%,indicating the persistence of the CDW phase,even though the band structure is strikingly different from that of the parent compound TiSe_(2).Though CDW can induce the band fold effect with a driving force from the perspective of electronic systems,our studies suggest that this behavior could be maintained by lattice distortion of the CDW phase,even if band structures deviate from the electron-driven CDW scenario.Our work provides a constraint for understanding the CDW mechanism in TiSe_(2),and highlights the role of lattice distortion in the band-folding effect.

关键词： charge density wave band structure lattice distortion

An artificial intelligence-aided design (AIAD) of ship hull structures

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Journal of Ocean Engineering and Science 2023年第1期8卷 15-32页

作者： Yu Ao yunbo li Jiaye Gong Shaofan li College Of Shipbuilding Engineering Harbin Engineering UniversityChina Department of Civil and Environmental Engineering University of CaliforniaBerkeleyCA 94720USA College of Ocean Science and Engineering Shanghai Maritime UniversityChina

Ship-hull design is a complex process because the any slight local alteration in ship hull structure may significantly change the hydrostatic and hydrodynamic performances of a ship.To find the optimum hull shape under the design requirements,the state-of-art of ship hull design combines computational fluid dynamics computation with geometric modeling.However,this process is very computationally intensive,which is only suitable at the final stage of the design process.To narrow down the design parameter space,in this work,we have developed an AI-based deep learning neural network to realize a real-time prediction of the total resistance of the ship-hull structure in its initial design process.In this work,we have demonstrated how to use the developed DNN model to carry out the initial ship hull design.The validation results showed that the deep learning model could accurately predict the ship hull’s total resistance accurately after being trained,where the average error of all samples in the testing dataset is lower than 4%.Simultaneously,the trained deep learning model can predict the hip’s performances in real-time by inputting geometric modification parameters without tedious preprocessing and calculation processes.The machine learning approach in ship hull design proposed in this work is the first step towards the artificial intelligence-aided design in naval architectures.

关键词： Artificial intelligence Deep learning neural network Hull deformation Machine learning Ship hull design Total resistance

Leaching kinetics of fluorine during the aluminum removal from spent li-ion battery cathode materials

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Journal of Environmental Sciences 2024年第4期138卷 312-325页

作者： Shengjie li Jianxin Zhu Research Center for Eco-Environmental Sciences Chinese Academy of SciencesBeijing 100085China University of Chinese Academy of Sciences Beijing 100049China

The high content of aluminum(Al)impurity in the recycled cathode powder seriously affects the extraction efficiency of Nickel,Cobalt,Manganese,and lithium resources and the actual commercial value of recycled materials,so Al removal is crucially important to conform to the industrial standard of spent li-ion battery cathode materials.In this work,we systematically investigated the leaching process and optimum conditions associated with Al removal from the cathode powder materials collected in a wet cathode-powder peeling and recycling production line of spent li-ion batteries(liBs).Moreover,we specifically studied the leaching of fluorine(F)synergistically happened along with the removal process of Al,which was not concerned about in other studies,but one of the key factors affecting pollution prevention in the recovery process.The mechanism of the whole process including the leaching of Al and F from the cathode powder was indicated by using NMR,FTIR,and XPS,and a defluoridation process was preliminarily investigated in this study.The leaching kinetics of Al could be successfully described by the shrinking core model,controlled by the diffusion process and the activation energy was 11.14 kJ/mol.While,the leaching of F was attributed to the dissolution of liPF6and decomposition of PVDF,and the kinetics associated was described by Avrami model.The interaction of Al and F is advantageous to realize the defluoridation to some degree.It is expected that our investigation will provide theoretical support for the large-scale recycling of spent liBs.

关键词： Al removal F leaching Cathode powder Heating alkali leaching Leaching kinetics

The Role of Hydroxide Binding Energy in Alkaline Hydrogen Oxidation Reaction Kinetics on RuCr Nanosheet

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Chinese Journal of Chemistry 2022年第21期40卷 2495-2501页

作者： Chaoyi Yang yunbo li Chuangxin Ge Wenyong Jiang Gongzhen Cheng lin Zhuang Wei Luo College of Chemistry and Molecular Sciences Wuhan UniversityWuhanHubei 430072China Hubei Key Labon Organic and Polymeric Opto-Electronic Materials Wuhan UniversityWuhanHubei 430072China

Unveiling the role of adsorbed hydroxide involved in the hydrogen oxidation reaction(HOR)under alkaline electrolyte is crucial for the development of advanced HOR electrocatalysts for the alkaline polymer electrolyte fuel cells(APEFCs).Herein,we report the synthesis of amorphous RuCr nanosheets with different molar ratios and their HOR performances under alkaline media.We find a volcano correlation between the Cr content in RuCr nanosheets and their alkaline HOR performance.Experimental results and density functional theory(DFT)calculation reveals that the optimized Cr content in RuCr nanosheets could lead to the optimum hydroxide binding energy(OHBE),contributes to their remarkable alkaline HOR performance with mass activity of 568.1 A·gPGM^(–1) at 50 mV,13-fold higher than that of Ru catalyst.When RuCr nanosheet is further used as the anodic electrocatalyst,a peak power density of 1.04 W·cm^(–2 )can be achieved in an APEFC.

关键词： Fuel cells Hydrogen oxidation reaction Hydroxide binding energy Electrochemistry Ruthenium

Additives strategies to improving cycling stability of li metal batteries by modifying electrode electrolyte interphases

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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 application.Here,we explore 3,5-difluoropyridine（2F-BD） as a novel electrolyte additive to enable highperformance LMBs.The 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 ions.As a result,the li‖li symmetric cell presents a stable cycling performance of up to 500 h at a current density of 1 mA cm-2.After 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

Highly-chlorinated inert and robust interphase without mineralization of oxide enhancing high-rate li metal batteries

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Chinese Chemical Letters 2024年第6期35卷 239-243页

作者： Long li Kang Yang Chenpeng Xi Mengchao li Borong li Gui Xu Yuanbin Xiao Xiancai Cui Zhiliang liu lingyun li Yan Yu Chengkai Yang Key Laboratory of Advanced Materials Technologies International(HongKong Macao and Taiwan)Joint Laboratory on Advanced Materials TechnologiesSchool of Materials Science and EngineeringFuzhou UniversityFuzhou 350108China College of Material Sciences and Chemical Engineering Harbin Engineering UniversityHarbin 150001China

Side reactions and dendrite growth triggered by the unstable interface and inhomogeneous deposition have become the biggest obstacle to the commercialization for lithium metal batteries.In this study,a highly-chlorinated organic-inorganic hybrid interfacial protective layer is developed by rationally tuning the interfacial passivation and robustness to achieve the convenient and efficient li metal anode.The polyvinyl chloride(PVC)can effectively resist water and oxygen,which is confirmed by density functional theory.The organic-dominant solid electrolyte interphases(SEI)with lithium chloride are investigated by the X-ray photoelectron spectroscopy(XPS)with little mineralization of oxide,such as li_(2)O and li_(2)CO_(3).With such artificial SEI,a uniform and dense lithium deposition morphology are formed and an ultra-long stable cycle of over 500 h are achieved even at an ultra-high current density of 10 m A/cm^(2).Moreover,the simple and convenient protected anode also exhibits excellent battery stability when paired with the liNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)and liFePO_(4)(LFP)cathode,showing great potential for the commercial application of lithium metal batteries.

关键词： Highly-chlorinated Water/oxygen resistance Stable interphase Dendrite-free lithium metal batteries High-rate

Accelerating lithium-sulfur battery reaction kinetics and inducing 3D deposition of li2S using interactions between Fe3Se4 and lithium polysulfides

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Journal of Energy Chemistry 2024年第8期95卷 540-553页

作者： Yihan lin liheng li Longjie Tan Yongliang li Xiangzhong Ren Peixin Zhang Chuanxin He lingna Sun College of Chemistry and Environmental Engineering Shenzhen University

Although lithium-sulfur batteries（LSBs） exhibit high theoretical energy density,their practical application is hindered by poor conductivity of the sulfur cathode,the shuttle effect,and the irreversible deposition of li2S.To address these issues,a novel composite,using electrospinning technology,consisting of Fe3Se4and porous nitrogen-doped carbon nanofibers was designed for the interlayer of LSBs.The porous carbon nanofiber structure facilitates the transport of ions and electrons,while the Fe3Se4material adsorbs lithium polysulfides（liPSs） and accelerates its catalytic conversion process.Furthermore,the Fe3Se4material interacts with soluble liPSs to generate a new polysulfide intermediate,lixFeSycomplex,which changes the electrochemical reaction pathway and facilitates the three-dimensional deposition of li2S,enhancing the reversibility of LSBs.The designed LSB demonstrates a high specific capacity of1529.6 mA h g-1in the first cycle at 0.2 C.The rate performance is also excellent,maintaining an ultra-high specific capacity of 779.7 mA h g-1at a high rate of 8 C.This investigation explores the mechanism of the interaction between the interlayer and liPSs,and provides a new strategy to regulate the reaction kinetics and li2S deposition in LSBs.

关键词： Adsorption Catalysis Electrostatic spinning Interlayers li2S electrodeposition lithium-sulfur batteries Polysulfide intermediates

Ultrathin organic solvent nanofiltration membrane with polydopamine-HKUST-1 interlayer for organic solvent separation

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Journal of Environmental Sciences 2024年第7期141卷 182-193页

作者： Haike li Xindong li Guozai Ouyang lijinhong Huang Lang li Wenhao li Wanfu Huang Duokun li Ganzhou Key Laboratory of Basin Pollution Simulation and Control Jiangxi University of Science and TechnologyGanzhou 341000China Innovation Center for Water Quality Security Technology at Ganjiang River Basin Jiangxi University of Science and TechnologyGanzhou 341000China School of Architecture and Design Jiangxi University of Science and TechnologyGanzhou 341000China WA School of Mines:Minerals Energy and Chemical EngineeringCurtin UniversityWA 6845Australia School of Materials Science and Engineering Tiangong UniversityTianjin 300387China

Polydopamine(PDA)and metal-organic skeleton HKUST-1 were co-deposited on the base membrane of hexamethylenediamine(HDA)-crosslinked polyetherimide(PEI)ultrafiltration membrane as the interlayer,and high-throughput organic solvent nanofiltration membrane(OSN)was prepared by interfacial polymerization and solvent activation reaction.The polyamide(PA)layer surface roughness from 28.4 nm in PA/PEI to 78.3 nm in PA/PDA-HKUST-10.6/PEI membrane,reduced the thickness of the separation layer from 79 to 14 nm,and significantly improved the hydrophilic,thermal and mechanical properties.The flux of the PA/PDA-HKUST-10.6/PEI membrane in a 0.1 g/L Congo Red(CR)ethanol solution at 0.6 MPa test pressure reached 21.8 L/(m^(2)·hr)and the rejection of CR was 92.8%.Solvent adsorption test,N,N-dimethylformamide(DMF)immersion experiment,and long-term operation test in ethanol showed that the membranes had high solvent tolerance.The solvent flux test demonstrated that,under the test pressure of 0.6 MPa,the flux of different solvents ranked as follows:methanol(56.9 L/(m^(2)·hr))>DMF(39.6 L/(m^(2)·hr))>ethanol(31.2 L/(m^(2)·hr))>IPA(4.5 L/(m^(2)·hr))>N-hexane(1.9 L/(m^(2)·hr)).The ability of the membranes to retain dyes in IPA/water dyes solution was also evaluated.The flux of the membrane was 30.4 L/(m^(2)·hr)and the rejection of CR was 91.6%when the IPA concentration reached 50%.This OSN membrane-making strategy is economical,environment-friendly and efficient,and has a great application prospect in organic solvent separation systems.

关键词： Interfacial polymerization Organic solvent nanofiltration Interlayer Metal-organic frameworks Polydopamine

Boosting the performance of liNi_(0.90)Co_(0.06)Mn_(0.04)O_(2) electrode by uniform li_(3)PO_(4) coating via atomic layer deposition

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Chinese Chemical Letters 2024年第5期35卷 499-503页

作者： Mingjiao Lu Zhixing Wang Gui Luo Huajun Guo Xinhai li Guochun Yan Qihou li Xianglin li Ding Wang Jiexi Wang School of Metallurgy and Environment Central South UniversityChangsha 410083China BASF ShanShan Battery Materials Co. Ltd.Changsha 410006China Engineering Research Center of the Ministry of Education for Advanced Battery Materials Central South UniversityChangsha 410083China Hunan Provincial Key Laboratory of Nonferrous Value-Added Metallurgy Central South UniversityChangsha 410083China School of Physics and Chemistry Hunan First Normal UniversityChangsha 410205China National and Local Joint Engineering Laboratory for lithium-ion Batteries and Materials Preparation Technology Key Laboratory of Advanced Battery Materials of Yunnan ProvinceFaculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093China

Ultra-high nickel material is considered to be a promising cathode material.However,with the increase of nickel content,the interfacial side reactions between the cathode and electrolyte become increasingly serious.Herein,an atomically controllable ionic conductor li_(3)PO_(4)(LPO)coating is deposited on the liNi_(0.90)Co_(0.06)Mn_(0.04)O_(2)(NCM9064)based electrode by the atomic layer deposition method.The results shows that the LPO coating is uniformly and densely covered on the surface of secondary particles of NCM9064,helping to prevent the direct contact between the electrolyte and cathode during the chargingdischarging process.In addition,the coating layer is electrochemically stable.As a result,the interfacial side reactions during the long cycle are effectively suppressed,and the solid electrolyte interphase layer at the interface is stabilized.The electrode with 20 layers of LPO deposition(ALD-LPO-20)exhibits an excellent capacity retention of 81%after 200 cycles in 2.8-4.3 V at 25℃,which is 18%higher than the unmodified material(ALD-LPO-0).Besides,the moderate LPO coating improves the rate capability and high temperature cycling performance of NCM9064.This study provides a method for the modification of ultra-high nickel cathode materials and corresponding electrodes.

关键词： Ultra-high nickel material liNi_(0.90)Co_(0.06)Mn_(0.04)O_(2) Atomic layer deposition li_(3)PO_(4) Ionic conductor