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SSRN 2023年

作者： Türe, Yiğit Kaya, Ali Arslan Shin, Kwang Seon Turan, Servet Eskisehir Technical University Porsuk Vocational School Electronics and Automation Department Program of Mechatronics Eskisehir Turkey Mugla Sıtkı Kocman University Engineering Faculty Metallurgy and Materials Engineering Department Mugla Turkey Seoul National University Materials Science and Engineering Department Seoul Korea Republic of Eskisehir Technical University Engineering Faculty Materials Science and Engineering Department Eskisehir Turkey

The aim of this work was to investigate the feasibility of observing the effect of impurities in pure magnesium (Mg) on the work function (WF) measurements by using Kelvin Probe Force Microscopy (KPFM). In essence, the pure Mg samples used in this study can be regarded as extremely dilute solid solutions of Mg with some impurity atoms. This investigation further considers the measured WF differences within a crystal as figures that are directly affected by the free electron density distribution, which essentially refers to the nature of the interatomic bonding. A corollary of this view is that stacking fault energy (SFE) changes in a solid solution system can also be revealed via KPFM measurements, as SFE also depends on the free electron density distribution. Since the atomic density would affect the WF and SFE levels, the crystal orientations of the single crystal Mg samples had to be determined via electron diffraction patterns obtained via TEM. It has been shown that WF differences as measured via KPFM, offer a technique that can be at least qualitatively correlated with the interatomic bond strength levels, and therefore be also interpreted as an indicator of SFE levels. This practical measurement approach appears to be a reliable way of understanding the effect of individual elemental changes in multi-element solid-solution systems which currently do not lend themselves to computational techniques due to the number of elements involved. It should be borne in mind that the computed SFE values in the literature are not treated as absolute values but rather become useful when assessing the properties of alloys at a fundamental level, i.e., free electron density distributions. Therefore, it seems possible to use the principles of ‘electronic metallurgy’ in developing multi-element alloy systems. © 2023, The Authors. All rights reserved.

关键词： Single crystals

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A mini review on two-dimensional nanomaterial assembly

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Nano Research 2020年第5期13卷 1179-1190页

作者： Zhiwei Fang Qiyu Xing Desiree Fernandez Xiao Zhang Guihua Yu Materials Science and Engineering Program and Department of Mechanical Engineering The University of Texas at AustinAustinTexas 78712USA 2 School of Chemistry and Materials ScienceUniversity of Science&Technology of ChinaHefei 230026China

Two-dimensional(2D)nanomaterials have attracted a great deal of attention since the discovery of graphene in 2004,due to their intriguing physicochemical properties and wide-ranging applications in catalysis,energy-related devices,electronics and *** maximize the potential of 2D nanomaterials for their technological applications,controlled assembly of 2D nanobulding blocks into integrated systems is critically *** mini review summarizes the reported strategies of 2D materials-based assembly into integrated functional nanostructures,from in-situ assembly method to post-synthesis *** applications of 2D assembled integrated structures are also covered,especially in the areas of energy,electronics and sensing,and we conclude with discussion on the remaining challenges and potential directions in this emerging field.

关键词： two-dimensional materials assembly self-assembly post-synthesis assembly integrated nanostructures

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Designing Highly Packed Silicon Anode Slurries for High Capacity and Prolonged Lifespan of Lithium-Ion Batteries

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SSRN 2023年

作者： Lee, Doojin Song, Yeeun Song, Bo-Ye Kim, Bogyoung Ju, Yangyul Jang, Il-Seop Chun, Jinyoung Department of Polymer Science and Engineering Chonnam National University Gwangju61186 Korea Republic of Emerging Materials R&D Division Korea Institute of Ceramic Engineering and Technology Jinju52851 Korea Republic of Department of Materials and Engineering Korea University Seoul02841 Korea Republic of

Despite its high theoretical specific capacity, silicon (Si) poses certain challenges including large volume expansion and thick solid-electrolyte-interface (SEI) layer formation during the charge/discharge process. This study investigates the crucial role of interparticle interactions and particle packing densities, uncovering their significance in enhancing the coating abilities of Si anode slurries and improving the energy capacity and life cycle of LIBs. A microrheolgical model is employed to predict the rheological properties of Si anode slurries based on their packing densities. We find that a combination of Si nanoparticles (SiNPs) of varying sizes not only augments the energy capacity and slower SEI formation, but also promotes a uniform slurry coating on the electrode. We quantify the coating characteristics of Si anode slurries using dimensionless structural and deformation parameters, thus providing a robust foundation for future advancements in the preparation of LIB slurries. © 2023, The Authors. All rights reserved.

关键词： Silicon

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Phase transition in silver niobate under high pressures

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Physical Review B 2024年第10期109卷 104108-104108页

作者： Zhangyang Zhou Zhengwei Xiong Xiaoru Liu Tao Zeng Wenbin Liu Jiagang Wu Zhipeng Gao Institute of Fluid Physics China Academy of Engineering Physics Mianyang 621900 China Joint Laboratory for Extreme Conditions Matter Properties School of Mathematics and Physics Southwest University of Science and Technology Mianyang 621010 China National Engineering Research Center for Domestic & Building Ceramics Jingdezhen Ceramic University Jingdezhen 333403 China Department of Materials Science Sichuan University Chengdu 610065 China

As an emerging antiferroelectric material, AgNbO3 holds promise in various applications like sensors, high-density data storage, and energy conversion. Understanding its structural behavior under high pressure is vital for establishing a phase diagram, which is of importance for properties design of antiferroelectric materials. However, the detailed phase structures of representative AgNbO3 under high pressures were still under debate. Hence, we investigated high-pressure structural evolution of AgNbO3 using Raman spectroscopy, in situ high-pressure synchrotron x-ray diffraction, and ab initio density-functional theory. The results revealed a transition path of Pbcm→Cmcm→Pm3¯m with the increases of pressures. The AgNbO3 initially exhibited an orthorhombic structure with the Pbcm space group at ambient pressure, transitioning to Cmcm at 5.83 GPa. With further pressure increasing to 9.89 GPa, a second cubic phase with the Pm3¯m space group could be observed. The coexistence of Cmcm and Pm3¯m phases transformed into a pure Pm3¯m structure at around 16.71 GPa. Ab initio density-functional theory validated the phase transition path with high pressures. The structural transformations were mainly driven by the pressure-induced movement of Ag ions and oxygen octahedron rotations. These findings carry significant implications for the design and optimization of devices operating under high pressures.

关键词： High-pressure studies Phase transitions Antiferroelectrics Raman spectroscopy X-ray photoelectron diffraction

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Electrochemical and Structural Characterization of Electropolymerized Composite of NH2-Graphene and Polyaniline

Electrochemical and Structural Characterization of Electropo...

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Agrosystem engineering, Technology & Applications (AGRETA), IEEE International Conference on

作者： Jonathan E. Pa-a Erwin P. Enriquez Department of Chemistry Silliman University Dumaguete City Philippines Department of Chemistry and Program in Materials Science and Engineering School of Science and Engineering Ateneo de Manila University Quezon City Philippines

The NH 2 -graphene/polyaniline composites are synthesized by in situ electropolymerization of aniline monomer and NH 2 -functionalized graphene (“NH 2 -graphene”) sheets in acidic electrolyte solution by constant-potential coulometry. Cyclic voltammetry and FTIR analyses confirm the covalent attachment of polyaniline backbone onto NH 2 -graphene in the composite. Having the same functional moieties (NH 2 -group), the polyaniline nanofibers are grafted laterally forming ’synapses’ resulting in improved charge-transfer reaction and stability of the composite. This link is believed to be ’phenazine-like’ microstructure formed at the edges of graphene sheets as evidenced by SEM and TEM images. The voltammograms of the NH 2 -graphene/polyaniline composite films coated onto pencil lead graphite electrodes (PLGE) exhibit remarkable increase in the current density relative to the bare PLGE and polyaniline-coated PLGEs. Based on the electrochemical impedance spectroscopy (EIS) measurements, the enhancement in the electrochemical properties of the composite may be due to the good chargetransfer redox activity of polyaniline fibers that are grafted onto the NH 2 -graphene sheet. The composite film also demonstrated photo-responsive property which could be useful for sensing or photovoltaic cell design.

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Epilayer on NEAT Grown GaN Schottky Diodes for Radiation Detection

Epilayer on NEAT Grown GaN Schottky Diodes for Radiation Det...

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2023 Transactions of the American Nuclear Society Annual Meeting and Technology Expo, ANS 2023

作者： Remy, Jarod Zhang, Yuxuan Talesara, Vishank Zhao, Hongping Lu, Wu Hashimoto, Tadao Cao, Lei R. Nuclear Engineering Program Department of Mechanical and Aerospace Engineering 281 W. Lane Ave. ColumbusOH43210 United States Department of Electrical and Computer Engineering 281 W. Lane Ave ColumbusOH43210 United States Department of Material Science and Engineering The Ohio State University 281 W. Lane Ave ColumbusOH43210 United States SixPoint Materials Inc 37 Industrial Way STE 106 BuelltonCA United States

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Electrochemical Performance of a Water-Based LiFePO4 Cathode for Li-Ion Batteries

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Defect and Diffusion Forum 2022年 417卷 163-168页

作者： Chanhaew, Araya Aranmala, Komsak Darmawan, Luthfi Mursid Nisa, Shofirul Sholikhatun Nurohmah, Anisa Raditya Meethong, Nonglak Materials Science and Nanotechnology Program Department of Physics Faculty of Science Khon Kaen University Muang District Khon Kaen40002 Thailand Department of Chemical Engineering Faculty of Engineering Universitas Sebelas Maret Central Java Surakarta57126 Indonesia Centre of Excellence for Electrical Energy Storage Technology Universitas Sebelas Maret Central Java Surakarta57146 Indonesia Khon Kaen University Muang District Khon Kaen40002 Thailand

Lithium iron phosphate (LiFePO4) has received much attention because it can provide high power density, abundant raw materials, safety, low toxicity, and high thermal stability. In general, the production of LiFePO4 cathode uses Polyvinylidene fluoride (PVDF) as a binder and N-Methyl-2-Pyrrolidone (NMP) as a solvent. These components are expensive, toxic, and can affect the environment. Therefore, to cover this shortcoming, the solvent and binder were replaced in this study. The solvent is replaced with water, which is more environmentally friendly and abundant, while the binder is replaced with water soluble binders. Suitable electrode formulations were investigated to obtain high performance cylindrical typed Li-ion batteries. As a result, Formula B (ratio of LiFePO4: AB: KS6: SBR: CMC = 90: 3: 3: 2.677: 1.333) has the highest specific discharge capacity of 120 mAh/g. The NMP-based cathode can give about 145 mAh/g. Therefore, the water-based cathode LiFePO4 gives a value that is slightly lower the NMP-based formular. © 2022 Trans Tech Publications Ltd, Switzerland.

关键词： Lithium compounds

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Increased light-emission efficiency in disordered (In,Ga)N through the correlated reduction of recombination rates

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Physical Review Applied 2023年第6期20卷 064049-064049页

作者： Nick Pant Emmanouil Kioupakis Applied Physics Program University of Michigan Ann Arbor Michigan 48109 USA Department of Materials Science & Engineering University of Michigan Ann Arbor Michigan 48109 USA

Experiments have shown that the light-emission efficiency of indium gallium nitride [(In,Ga)N] light-emitting diodes improves with increasing indium concentration. It is widely thought that compositional fluctuations due to indium incorporation suppress diffusion of carriers to nonradiative centers, thus leading to defect-insensitive emission. However, recent experiments have challenged this hypothesis by revealing unexpectedly long diffusion lengths at room temperature. Here, we demonstrate an alternative mechanism involving the correlated reduction in radiative and nonradiative recombination rates that explains the increase in light-emission efficiency of (In,Ga)N with increasing indium concentration, without invoking the suppression of carrier diffusion. Our analysis challenges the notion that carrier localization gives rise to defect tolerance in (In,Ga)N.

关键词： Carrier generation & recombination Optoelectronics Weak localization Disordered alloys III-V semiconductors LEDs Density functional calculations Schroedinger equation

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A Versatile Strategy for Hybridizing Small Experimental and Large Simulation Data: A Case for ceramic Tape-Casting Process

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SSRN 2023年

作者： Kim, Jeong-Hun Ko, Hyunseok Yeo, Dong-Hun Park, Zeehoon Kumar, Upendra Yoo, Kwan-Hee Nasridinov, Aziz Cho, Sung Beom College of Electrical & Computer Engineering Chungbuk National University Cheongju28644 Korea Republic of Center of Material Digitalization Korea Institute of Ceramic Engineering and Technology Jinju52851 Korea Republic of Ceramic Test-bed Center Korea Institute of Ceramic Engineering and Technology Icheon17303 Korea Republic of Department of Materials Science and Engineering Ajou University Suwon16499 Korea Republic of

In manufacturing industry, finding optimal design parameters for targeted properties has traditionally been guided by trial and error. However, limited data availability to few hundreds sets of experimental data in typical materials processes, the machine-learning capabilities and other data-driven modeling (DDM) techniques are too far from it to be practical. In this study, we show how a versatile design strategy, tightly coupled with physics-based modeling (PBM) data, can be applied to small set of experimental data to improve the optimization of process parameters. Our strategy uses PBM to achieve augmented data that includes essential physics: in other words, the PBM data allows the inverse design model to ‘learn’ physics, indirectly. We demonstrated the accuracy of both forward-prediction and inverse-optimization have been dramatically improved with the help of PBM data, which are relatively cheap and abundant. Furthermore, we found that the inverse model with augmented data can accurately optimize process parameters, even for ones those were not considered in the simulation. Such versatile strategy can be helpful for processes/experiments for the cases where the number of collectable data is limited, which is most of the case in industries. © 2023, The Authors. All rights reserved.

关键词： Machine learning

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Characterization of Nanocomposite Membrane Based Bacterial Cellulose Made of Pineapple Waste Reinforced by Graphite Nanoplatelets

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Journal of Renewable materials 2022年第9期10卷 2465-2475页

作者： Heru Suryanto Bili Darnanto Susilo Jibril Maulana Aminnudin Uun Yanuhar Surjani Wonorahardjo Husni Wahyu Wijaya Abu Saad Ansari Center of Excellence for Cellulose Composite(CECCom) Department of Mechanical EngineeringUniversitas Negeri MalangMalang65145Indonesia Centre of Advanced Material for Renewable Energy(CAMRY) Universitas Negeri MalangMalang65145Indonesia Master Program of Mechanical Engineering Faculty of EngineeringUniversitas Negeri MalangMalang65145Indonesia Department of Aquatic Resources Management Faculty of Fisheries and Marine SciencesBrawijaya UniversityMalang65145Indonesia Department of Chemistry Faculty of Mathematics and Natural SciencesUniversitas Negeri MalangMalang65145Indonesia Department of Materials Science&Engineering Incheon National UniversityIncheon464-742South Korea

Waste is the main problem for the *** waste for various useful applications has a benefit for the *** work has been studied for handling pineapple peel waste to make composite film bacterial cellulose nanocomposite membrane(BCNM)with addition graphite nanoplatelet(GNP).The concentration of GNP in the membrane influence the membrane *** bacterial cellulose(BC)pellicle was synthesized by using media from pineapple peel waste *** pellicle is cleaned with water and NaOH solution to be free from *** is synthesized through the mechanical disintegration *** results of disintegration using high pressure homogenizer at 150 bar and five ***/GNP is synthesized with varying addition of GNP of 2.5,5.0,10 and 100 wt%of dry bacterial nanocellulose(BNC).The BC and GNP solution were dried in an oven for 14 h at 80℃.BCNM morphology was observed using *** is dispersed and distributed in the BC matrix as *** analysis shows many peaks of BNC less pronounced with increasing of *** higher concentration of GNP,the rougher of *** optimum tensile strength of BCNM was achieved after addition GNP of 2.5 wt%.

关键词： Bacterial nanocellulose graphite nanoplatelet membrane nanocomposite pineapple waste

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