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Armoring lithium metal anode with soft–rigid gradient interphase toward high-capacity and long-life all-solid-state battery

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Green Energy & Environment 2024年第8期9卷 1279-1289页

作者： Rui Zhang Biao Chen Yuhan Ma Yue Li Junwei Sha Liying Ma Chunsheng Shi Naiqin Zhao School of Materials Science and Engineering and Tianjin Key Laboratory of Composite and Functional Materials Tianjin UniversityTianjin300350China Collaborative Innovation Centre of Chemical Science and Engineering Tianjin300072China Joint School of National University of Singapore and Tianjin University International Campus of Tianjin UniversityFuzhou350207China Department of Chemical and Biomolecular Engineering National University of Singapore119077Singapore

Solid polymer electrolytes(SPEs)are highly promising for realizing high-capacity,low-cost,and safe Li metal ***,the Li dendritic growth and side reactions between Li and SPEs also plague these ***,a fluorinated lithium salt coating(FC)with organic-inorganic gradient and soft–rigid feature is introduced on Li surface as an artificial protective layer by the in-situ reaction between Li metal and fluorinated carboxylic *** FC layer can improve the interface stability and wettability between Li and SPEs,assist the transport of Li ions,and guide Li nucleation,contributing to a dendrite-free Li deposition and long-lifespan Li metal *** symmetric cell with FC-Li anodes exhibits a high areal capacity of 1 mAh cm^(-2)at 0.5 mA cm^(-2),and an ultra-long lifespan of 2000 h at a current density of 0.1 mA cm^(-2).Moreover,the full cell paired with the LiFePO4 cathode exhibits improved cycling stability,remaining 83.7%capacity after 500 cycles at 1 *** matching with the S cathode,the FC layer can prevent the shuttle effect,contributing to stable and high-capacity Li–S *** work provided a promising way for the construction of stable all-solid-state lithium metal batteries with prolonged lifespan.

关键词： All-solid-state battery Solid polymer electrolyte Li metal anode Li nucleation Interface stability

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Highly conductive and tough double-network hydrogels for smart electronics

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SmartMat 2024年第2期5卷 54-66页

作者： Dong Zhang Yijing Tang Xiong Gong Yung Chang Jie Zheng Department of Chemical Biomolecularand Corrosion EngineeringThe University of AkronAkronOhioUSA School of Polymer Science and Polymer Engineering The University of AkronAkronOhioUSA R&D Center for Membrane Technology and Department of Chemical Engineering Chung Yuan Christian UniversityTaiwanChina

Development and understanding of highly mechanically robust and electronically conducting hydrogels are extremely important for ever-increasing energy-based *** mixing/blending of conductive additives with hydrophilic polymer network prevents both high mechanical strength and electronic conductivity to be presented in polymer ***,we proposed a double-network(DN)engineering strategy to fabricate PVA/PPy DN hydrogels,consisting of a conductive PPy-PA network via in-situ ultrafast gelation and a tough PVA network via a subsequent freezing/thawing *** resultant PVA/PPy hydrogels exhibited superior mechanical and electrochemical properties,including electrical conductivity of~6.8 S/m,mechanical strength of~0.39 MPa,and elastic moduli of~0.1 *** further transformation of PVA/PPy hydrogels into supercapacitors,they demonstrated a high capacitance of~280.7 F/g and a cycle life of 2000 galvanostatic charge/discharge cycles with over 94.3%capacity retention at the current density of 2 mA/cm2 and even subzero temperatures of−20℃.Such enhanced mechanical performance and electronic conductivity of hydrogels are mainly stemmed from a synergistic combination of continuous electrically conductive PPy-PA network and the two interpenetrating DN *** in-situ gelation strategy is applicable to the integration of ionic-/electrical-conductive materials into DN hydrogels for smart-soft electronics,beyond the most commonly used PEDOT:PSS-based hydrogels.

关键词： conducting polymers double-network hydrogels smart electronics supercapacitors

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Recent Developments in Fuel Cells and Water Electrolyzers

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JACS AU 2024年第5期4卷 1673-1675页

作者： Lee, Hyunjoo Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology Daejeon 34141 South Korea

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Identification of chemical compositions from“featureless”optical absorption spectra:Machine learning predictions and experimental validations

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Nano Research 2023年第3期16卷 4188-4196页

作者： Tiankai Chen Jiali Li Pengfei Cai Qiaofeng Yao Zekun Ren Yixin Zhu Saif Khan Jianping Xie Xiaonan Wang Department of Chemical and Biomolecular Engineering National University of Singapore4 Engineering Drive 4Singapore 117585Singapore Department of Materials Science and Engineering National University of Singapore9 Engineering Drive 1Singapore 117575Singapore Singapore-MIT Alliance for Research and Technology(SMART) 1 CREATE WaySingapore 138602Singapore Department of Chemical Engineering Tsinghua UniversityBeijing 100084China

Rapid and accurate chemical composition identification is critically important in *** it can be achieved with optical absorption spectrometry by comparing the experimental spectra with the reference data when the chemical compositions are simple,such application is limited in more complicated scenarios especially in nano-scale *** is due to the difficulties in identifying optical absorption peaks(i.e.,from“featureless”spectra)arose from the *** this work,using the ultraviolet-visible(UV-Vis)absorption spectra of metal nanoclusters(NCs)as a demonstration,we develop a machine-learningbased method to unravel the compositions of metal NCs behind the“featureless”*** implementing a one-dimensional convolutional neural network,good matches between prediction results and experimental results and low mean absolute error values are achieved on these optical absorption spectra that human cannot *** work opens a door for the identification of nanomaterials at molecular precision from their optical properties,paving the way to rapid and high-throughput characterizations.

关键词： gold nanoclusters composition identification optical absorption machine learning convolutional neural network

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Modeling the effects of salt concentration on aqueous and organic electrolytes

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npj Computational Materials 2023年第1期9卷 546-552页

作者： Stephanie C.C.van der Lubbe Pieremanuele Canepa Department of Materials Science and Engineering National University of Singapore9 Engineering Drive 1117575 SingaporeSingapore Department of Chemical and Biomolecular Engineering National University of Singapore4 Engineering Drive 4117585 SingaporeSingapore Department of Electrical and Computer Engineering and Texas Center for Superconductivity University of HoustonHoustonTX 77204USA

Understanding the thermodynamic properties of electrolyte solutions is of vital importance for a myriad of physiological and technological *** mean activity coefficientγ±is associated with the deviation of an electrolyte solution from its ideal behavior and may be obtained by combining the Debye-Hückel(DH)and Born(B)***,the DH and B equations depend on the concentration and temperature-dependent static permittivity of the solutionεr(c,T)and the size of the solvated ions ri,whose experimental data is often not ***,we use a combination of molecular dynamics and density functional theory to predictεr(c,T)and ri,which enables us to apply the DH and B equations to any technologically relevant aqueous and nonaqueous electrolyte at any concentration and temperature of interest.

关键词： equations electrolyte apply

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Interfacial reactions in the Sn-9.0 wt.% Zn/Cu-Ti alloy (C1990 HP) couple

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Soldering and Surface Mount Technology 2024年第1期36卷 30-38页

作者： Laksono, Andromeda Dwi Chen, Chih-Ming Yen, Yee-Wen Department of Materials Science and Engineering National Taiwan University of Science and Technology Taipei Taiwan Department of Chemical Engineering National Chung Hsing University Taichung Taiwan Study Program of Material and Metallurgical Engineering Institut Teknologi Kalimantan Balikpapan Indonesia

Purpose: The purpose of this study was to examine the influence of adding a small amount of Ti to a Cu-based alloy, specifically the commercial Hyper Titanium Copper alloy (C1990 HP), which contains Cu-3.28 wt.% Ti, on its interfacial reaction with Sn-9.0 wt.% Zn (SnZn) solder, using the liquid/solid reaction couple technique. Design/methodology/approach: The SnZn/C1990 HP couples were subjected to a reaction temperature of 240–270°C for a duration of 0.5–5 h. The resulting reaction couple was characterized using a scanning electron microscope, energy dispersive spectrometer, electron probe microanalyzer and X-ray diffractometer. Findings: It was observed that the scallop-shaped CuZn5 and planar Cu5Zn8 phases were formed in almost all SnZn/C1990 HP couples. With increased reaction duration and temperature, the Cu-rich intermetallic compound (IMC)-Cu5Zn8 phase became a dominant IMC formed at the interface. The total thickness of the IMCs was increased with the increase in the reaction duration and temperature. The IMC growth obeyed the parabolic law, and the IMC growth mechanism was diffusion controlled. The activation energy of the SnZn/C1990 HP couple was 64.71 kJ/mol. Originality/value: This article presents an analysis of the IMC thickness in each sample using ImageJ software, followed by kinetic analysis using Origin software at various reaction temperatures of SnZn/C1990 HP in liquid/solid couples. The study also includes detailed reports on the morphology, interface composition and X-ray diffraction analysis, as well as the activation energy. The findings can serve as a valuable reference for electronic packaging companies that utilize C1990 HP substrates. © 2023, Emerald Publishing Limited.

关键词： Binary alloys

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Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials

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npj Computational Materials 2022年第1期8卷 1533-1545页

作者： Reshma Devi Baltej Singh Pieremanuele Canepa Gopalakrishnan Sai Gautam Department of Materials Engineering Indian Institute of ScienceBengaluruKarnatakaIndia Department of Materials Science and Engineering National University of SingaporeSingaporeSingapore Department of Chemical and Biomolecular Engineering National University of SingaporeSingaporeSingapore

Facile ionic mobility within host frameworks is crucial to the design of high-energy-density batteries with high-power-densities,where the migration barrier(Em)is the governing ***,we assess the accuracy and computational performance of generalized gradient approximation(GGA),the strongly constrained and appropriately normed(SCAN),and their Hubbard U corrections,GGA+U and SCAN+U,within the density functional theory-nudged elastic band framework,in the prediction of Em as benchmarked against experimental ***,we observe SCAN to be more accurate than other frameworks,on average,albeit with higher computational costs and convergence difficulties,while GGA is a feasible choice for“quick”and“qualitative”Em ***,we quantify the sensitivity of Em with adding uniform background charge and/or the climbing image approximation in solid electrolytes,and the Hubbard U correction in *** findings will improve the quality of Em predictions which will enable identifying better materials for energy storage applications.

关键词： correction Hubbard approximation

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Strategies for fitting accurate machine-learned inter-atomic potentials for solid electrolytes

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Materials Futures 2023年第1期2卷 145-156页

作者： Juefan Wang Abhishek A Panchal Pieremanuele Canepa Department of Materials Science and Engineering National University of Singapore9 Engineering Drive 1117575Singapore Department of Chemical and Biomolecular Engineering National University of Singapore4 Engineering Drive 4117585Singapore

Ion transport in materials is routinely probed through several experimental techniques,which introduce variability in reported ionic diffusivities and *** computational prediction of ionic diffusivities and conductivities helps in identifying good ionic conductors,and suitable solid electrolytes(SEs),thus establishing firm structure-property ***-learned potentials are an attractive strategy to extend the capabilities of accurate ab initio molecular dynamics(AIMD)to longer simulations for larger systems,enabling the study of ion transport at lower ***,machine-learned potentials being in their infancy,critical assessments of their predicting capabilities are ***,we identified the main factors controlling the quality of a machine-learning potential based on the moment tensor potential formulation,when applied to the properties of ion transport in ionic conductors,such as *** results underline the importance of high-quality and diverse training sets required to fit moment tensor *** highlight the importance of considering intrinsic defects which may occur in *** demonstrate the limitations posed by short-timescale and high-temperature AIMD simulations to predict the room-temperature properties of materials.

关键词： solid electrolytes solid-state batteries lithium-ion batteries ionic conductors machine-learning potentials molecular dynamics density functional theory

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Three-dimensional lightweight melamine foams modified by MXene sheets and CoNi alloys towards multifunctional microwave absorption

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Nano Research 2025年第2期18卷 377-389页

作者： Nannan Wu Zhengying Shen Yitao Ma Zhizheng Wu Chuanxin Hou Sijie Guo Jian Tian Jiurong Liu School of Material Science and Engineering Shandong University of Science and TechnologyQingdao 266590China School of Mathematics and Systems Science Shandong University of Science and TechnologyQingdao 266590China School of Environmental and Material Engineering Yantai UniversityYantai 264005China Department of Chemical&Biomolecular Engineering University of TennesseeKnoxvilleTN 37996USA Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials Ministry of Education and School of Materials Science and EngineeringShandong UniversityJinan 250061China

Taking the increasing issue of electromagnetic waves(EMW)pollution and the necessity for applications in extreme environments,there is a pressing requirement to create multifunctional microwave absorption materials(MAMs)to meet the current *** this work,we achieved the successful combination of MXene sheets and metal organic framework(MOFs)derived CoNi@C magnetic alloys onto the three dimensional(3D)melamine foam(MF)skeleton using vacuum impregnation and electrostatic self-assembly *** obtained MF@MXene/CoNi@C composite foams achieved outstanding MA performance,with an optimal reflection loss(RL)value of–24.1 dB and a maximum effective absorption bandwidth(EAB)of 6.88 GHz at a thickness of 1.68 mm,effectively covering the whole Ku *** superior MA performance is ascribed to the composite foams’multi-component architecture,distinctive 3D porous structure,and the synergistic impact of multiple loss ***,the MF@MXene/CoNi@C composite foams demonstrate exceptional photothermal conversion,thermal insulation,and infrared stealth capabilities,effectively coping with the demands of applications in extreme *** work serves as a valuable resource and source of inspiration for the development of lightweight broadband,multifunctional efficient MAMs.

关键词： multifunctional microwave absorption MXene thermal insulation infrared stealth

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Surface-modified Ag@Ru-P25 for photocatalytic CO_(2) conversion with high selectivity over CH_(4) formation at the solid–gas interface

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Carbon Energy 2024年第1期6卷 182-196页

作者： Chaitanya B.Hiragond Sohag Biswas Niket SPowar Junho Lee Eunhee Gong Hwapyong Kim Hong Soo Kim Jin-Woo Jung Chang-Hee Cho Bryan M.Wong Su-Il In Department of Energy Science&Engineering Daegu Gyeongbuk Institute of Science and Technology(DGIST)DaeguRepublic of Korea Department of Chemical&Environmental Engineering Materials Science&Engineering ProgramDepartment of ChemistryDepartment of Physics&AstronomyUniversity of California-RiversideRiversideCaliforniaUSA Department of Physics and Chemistry Daegu Gyeongbuk Institute of Science and Technology(DGIST)DaeguRepublic of Korea NiceScience Corporation DaeguRepublic of Korea

Systematic optimization of the photocatalyst and investigation of the role of each component is important to maximizing catalytic activity and comprehending the photocatalytic conversion of CO_(2) reduction to solar fuels.A surface-modified Ag@Ru-P25 photocatalyst with H_(2)O_(2) treatment was designed in this study to convert CO_(2) and H_(2)O vapor into highly selective *** doping followed by Ag nanoparticles(NPs)cocatalyst deposition on P25(TiO_(2))enhances visible light absorption and charge separation,whereas H_(2)O_(2) treatment modifies the surface of the photocatalyst with hydroxyl(–OH)groups and promotes CO_(2) ***-resonance transmission electron microscopy,X-ray photoelectron spectroscopy,X-ray absorption near-edge structure,and extended X-ray absorption fine structure techniques were used to analyze the surface and chemical composition of the photocatalyst,while thermogravimetric analysis,CO_(2) adsorption isotherm,and temperature programmed desorption study were performed to examine the significance of H_(2)O_(2) treatment in increasing CO_(2) reduction *** optimized Ag1.0@Ru1.0-P25 photocatalyst performed excellent CO_(2) reduction activity into CO,CH4,and C2H6 with a~95%selectivity of CH4,where the activity was~135 times higher than that of pristine TiO_(2)(P25).For the first time,this work explored the effect of H_(2)O_(2) treatment on the photocatalyst that dramatically increases CO_(2) reduction activity.

关键词： gas-phase CO_(2) reduction H_(2)O_(2) treatment plasmonic nanoparticles solar fuel photocatalyst surface modification

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