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Sulfur and nitrogen codoped cyanoethyl cellulose-derived carbon with superior gravimetric and volumetric capacity for potassium ion storage

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Carbon Energy 2022年第5期4卷 986-1001页

作者： Guangzeng Cheng Wenzhe Zhang Wei Wang Huanlei Wang Yixian Wang Jing Shi Jingwei Chen Shuai Liu Minghua Huang David Mitlin School of Materials Science and Engineering Ocean University of ChinaQingdaoShandongChina Materials Science and Engineering Program Texas Materials Institute(TMI)The University of Texas at AustinAustinTexasUSA

We fabricated sulfur and nitrogen codoped cyanoethyl cellulose-derived carbons(SNCCs)with state-of-the-art electrochemical performance for potassium ion battery(PIB)and potassium ion capacitor(PIC)*** 0.2,0.5,1,2,5,and 10 A g−1,the SNCC shows reversible capacities of 369,328,249,208,150,and 121 mA h g−1,*** to a high packing density of 1.01 g cm^(−3),the volumetric capacities are also uniquely favorable,being 373,331,251,210,151,and 122 mA h cm^(−3)at these currents,*** also shows promising initial Coulombic efficiency of 69.0%and extended cycling stability with 99.8%capacity retention after 1000 *** proof of principle,an SNCC-based PIC is fabricated and tested,achieving 94.3Wh kg^(−1)at 237.5Wkg^(−1)and sustaining over 6000 cycles at 30 A g−1 with 84.5%*** internal structure of S and N codoped SNCC is based on highly dilated and defective graphene sheets arranged into nanometer-scale *** a baseline S-free carbon for comparison(termed NCC),the role of S doping and the resultant dilated structure was *** to galvanostatic intermittent titration technique and electrochemical impedance spectroscopy analyses,as well as COMSOL simulations,this structure promotes rapid solid-state diffusion of potassium ions and a solid electrolyte interphase that is stable during cycling.X-ray diffraction was used to probe the ion storage mechanisms in SNCC,establishing the role of reversible potassium intercalation and the presence of KC36,KC24,and KC8 phases at low voltages.

关键词： carbon manufacturing commercial carbon graphene potassium ion battery(KIP,PIB) potassium ion storage

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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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Machine learning of organic solvents reveals an extraordinary axis in Hansen space as indicator of spherical precipitation of polymers

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Aggregate 2023年第5期4卷 207-213页

作者： Yuta Ihara Hiroshi Yamagishi Masanobu Naito Yohei Yamamoto Department of Materials Science Faculty of Pure and Applied Sciencesand Tsukuba Research Center for Energy Materials Science(TREMS)University of TsukubaTsukubaJapan Research and Services Division of Materials Data and Integrated System(MaDIS) National Institute for Materials Science(NIMS)TsukubaJapan Program in Materials Science and Engineering Graduate School of Pure and Applied SciencesUniversity of TsukubaTsukubaJapan

Machine learning is an emerging tool in the field of materials chemistry for uncovering a principle from large ***,we focus on the spherical precipitation behavior of polymers and computationally extract a hidden trend that is orthogonal to the availability bias in the chemical *** constructing a dataset,four polymers were precipitated from 416 solvent/nonsolvent combinations,and the morphology of the resulting precipitates were *** dataset was subjected to computational investigations consisting of principal component analysis and machine learning based on random forest model and support vector ***,we eliminated the effect of the availability bias and found a linear combination of Hansen parameters to be the most suitable variable for predicting precipitation *** predicted appropriate solvents are those with low hydrogen bonding capability,low polarity,and small molecular ***,we found that the capability for spherical precipitation is orthogonal to the availability bias and forms an extraordinary axis in Hansen space,which is the origin of the conventional difficulty in identifying the *** extraordinary axis points toward a void region,indicating the potential value of synthesizing novel solvents located therein.

关键词： chemical space computational chemistry machine learning polymers precipitation

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Excitations in layered materials from a non-empirical Wannier-localized optimally-tuned screened rangeseparated hybrid functional

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npj Computational materials 2024年第1期10卷 132-140页

作者： María Camarasa-Gómez Stephen E.Gant Guy Ohad Jeffrey B.Neaton Ashwin Ramasubramaniam Leeor Kronik Department of Molecular Chemistry and Materials Science Weizmann Institute of ScienceRehovoth7610001Israel Department of Physics University of CaliforniaBerkeleyCA94720USA Materials Sciences Division Lawrence Berkeley National LaboratoryBerkeleyCA94720USA Kavli Energy NanoSciences Institute at Berkeley University of CaliforniaBerkeleyCA94720USA Department of Mechanical and Industrial Engineering University of Massachusetts AmherstAmherstMA01003USA Materials Science and Engineering Graduate Program University of MassachusettsAmherstAmherstMA01003USA

Accurate prediction of electronic and optical excitations in van der Waals(vdW)materials is a long-standing challenge for density functional *** recent Wannier-localized optimally-tuned screened range-separated hybrid(WOT-SRSH)functional has proven successful in non-empirical determination of electronic band gaps and optical absorption spectra for covalent and ionic ***,for vdW materials the tuning of the material-and structure-dependent functional parameters has only been attained ***,we present a non-empirical WOT-SRSH approach applicable to vdW materials,with the optimal functional parameters transferable between monolayer and *** apply this methodology to prototypical vdW materials:black phosphorus,molybdenum disulfide,and hexagonal boron nitride(in the latter case including zero-point renormalization).We show that the WOT-SRSH approach consistently achieves accuracy levels comparable to experiments and many-body perturbation theory(MBPT)calculations for band structures and optical absorption spectra,both on its own and as an optimal starting point for MBPT calculations.

关键词： theory optimal functional

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Oscillatory Hall effect from magnetoelectronic coupling in flexoelectronic silicon

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Physical Review B 2024年第8期109卷 L081113-L081113页

作者： Paul C. Lou Ravindra G. Bhardwaj Anand Katailiha W. P. Beyermann Sandeep Kumar Department of Mechanical Engineering University of California Riverside California 92521 USA Department of Physics and Astronomy University of California Riverside California 92521 USA Materials Science and Engineering Program University of California Riverside California 92521 USA

Magnetoelectronic coupling can be defined as cross-domain coupling between electronic and magnetic properties, where modulation in magnetic properties changes the electronic properties. In this Letter, explicit experimental evidence of magnetoelectronic coupling is presented, which is uncovered from the oscillatory Hall effect response in Hall measurement. The strain gradient in a MgO (1.8 nm)/p-Si (∼400 nm) freestanding sample leads to transfer of electrons (∼5×1018cm−3) from valence to conduction band due to flexoelectronic charge separation in the p-Si layer. The resulting flexoelectronic polarization gives rise to the temporal magnetic moment from dynamical multiferroicity. The external magnetic field changes the net temporal magnetic moment, which causes modulations in charge carrier concentration and oscillatory Hall effect. The period of oscillatory Hall response is 1.12 T, which is attributed to the magnitude of the temporal magnetic moment. The discovery of the oscillatory Hall effect adds another member to the family of Hall effects.

关键词： Hall effect Doped semiconductors Electronically polarized systems Flexoelectrics Multiferroics Hall bar

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Rheological and stability analysis of cement pastes incorporating silica-based wastes

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Particuology 2024年第6期89卷 144-152页

作者： Julia da Rosa Martins Janaíde Cavalcante Rocha Dachamir Hotza Luciano Senff Graduate Program in Materials Science and Engineering(PPGMAT) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Graduate Program in Civil Engineering(PPGEC) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Graduate Program in Chemical Engineering(POSENQ) Federal University of Santa Catarina(UFSC)Florianópolis88040-900SCBrazil Department of Mobility Engineering Federal University of Santa Catarina(UFSC)Joinville89219-600SCBrazil

This study investigates the influence of waste characteristics,especially zeta potential,on the properties of cement pastes and *** focus is to evaluate the impact of the zeta potential of cement particles and waste materials on the sedimentation speed,rheology,and hardening time of stabilized cement *** Cement II F 40,retarder additive,silica,and fly ash were used in the *** pastes were prepared,and during the stabilization period,their rheological properties and pH were *** zeta potential and sedimentation speed of the cement and waste particles were measured at the pH that the pastes presented during the entire stabilization *** the stabilization period,the pastes were subjected to the hardening time *** zeta potential analyses revealed diverse values for the different powder types,with the cement particles exhibiting a zeta potential of−3.0 mV,the silica particles exhibiting−10.5 mV,and the fly ash particles exhibiting−20.3 *** influence of the high zeta potential modulus was observed on the sedimentation speed,with the solution containing fly ash exhibiting a speed of 40.01μm/s,whereas the solution containing only cement exhibited a speed of 99.38μm/*** the pastes,the results indicate that the presence of fly ash particles with a significantly negative zeta potential led to a 16%reduction in hardening time compared to particles with a lower modulus of zeta *** tests showed that the inclusion of fly ash particles prevented the formation of *** the zeta potential influenced agglomerate formation and hardening time,it was found to have no effect on yield stress or viscosity.

关键词： Wastes Zeta potential Setting time Rheometry

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IoT Platform for Facility Management Practices Using BIM and Blockchain Concept Integration 2

IoT Platform for Facility Management Practices Using BIM and...

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2nd International Conference on Smart Cities 4.0, Smart Cities 4.0 2023

作者： Elmansy, Nada Baraka, Moustafa German University In Cairo Faculty Of Engineering And Materials Science Cairo Egypt Civil Engineering Program Faculty Of Engineering And Materials Science German University In Cairo Geomatics & Geoinformatics Cairo Egypt

ISBN: (纸本)9781665474306

Facility Management (FM) practices requires an efficient representations and reliable tools. Building information Modelling (BIM) held great potential for FM maintenance practices providing necessary facility information. Slow adoption of new technologies in the built environment is still a burden due to several factors like the lack of information sharing and collaborations, and the poor level of trust of information. In the built environment public sector, data security remains one of the maj or system deficiencies. With the blockchain technology (BC) evolving in recent times, security of data could be leveraged. This research establishes a framework utilizing managed BC in the built environment FM. The scope of this system is to integrate the benefits of BIM and BC to manage data from an loT platform gathering ambient conditions information. The flow of information is regarded in the established framework through the integration of four modules, namely, 1) data collection module, 2) data processing module, 3) data storage module, and 4) data visualization module. Furthermore, the developed framework is tested and applied for the validation of the approach. Results of the system are shown and are established by the system to be continuously updated and stored. The developed system serves as a trusted-fully secure tool for FM practitioners to assess and visualize indoor ambient comfort. Thus, the developed tool is proposing a state-of art-concept in the quest of the industry to reach a common data platform for the whole facility life-cycle. © 2023 IEEE.

关键词： Blockchain

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Reuse of sodium–doped iridium oxide nanoparticles as a bio–stimulating electrode by a chemical and electrochemical recovery process

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Ceramics International 2024年第4期50卷 6220-6228页

作者： Tso, Kuang-Chih Chen, Chieh-Hsuan Chen, Po-Chun Li, Shao-Sian Chen, Jeng-Lung Ohta, Jun Wu, Pu-Wei Division of Materials Science Graduate School of Science and Technology Nara Institute of Science and Technology Nara630-0192 Japan Graduate Degree Program of Science and Technology of Accelerator Light Source National Yang Ming Chiao Tung University Hsinchu300 Taiwan Department of Materials Science and Engineering National Yang Ming Chiao Tung University Hsinchu300 Taiwan Institute of Materials Science and Engineering National Taipei University of Technology Taipei106 Taiwan National Synchrotron Radiation Research Center Hsinchu300 Taiwan

A sequential chlorination and electrochemical reduction process is demonstrated to convert Na–doped iridium oxide nanoparticles into useful IrIIICl63−(aq) serving as the precursor for the fabrication of bio–stimulating electrode. The Na–doped iridium oxide nanoparticles are treated in 35 wt% hydrochloric acid at 70 °C for 18 h to form IrIVCl62−(aq) with pH of 0.3, so the latter could be readily reduced to IrIIICl63−(aq) at a potentiostatic mode of 0.6 V (vs. SCE). The oxidation state and the nature of complexing ligands for the regenerated IrIIICl63− and IrIVCl62−, as well as commercially available IrIIICl63− are validated by X–ray Absorption Spectroscopy. UV–Vis profiles of regenerated IrIVCl62−(aq) are recorded and the absorbance at 487 nm signal is benchmarked against that of standard IrIVCl62−(aq) to obtain the effective regeneration ratio of 68.6%. X–ray diffraction patterns of Na–doped iridium oxide nanoparticles before and after the annealing treatment indicate the amorphous structure facilitates the chlorination step. The regenerated IrIIICl63− is reused to synthesize Na–doped iridium oxide thin film serving as a bio–stimulating electrode for implantable bio–electronics. The regenerated Na–doped iridium oxide thin film reveals a charge-storage capacity of 0.32 mC/cm2-nm and impressive stability that are comparable to those of fresh Na–doped iridium oxide thin film derived from commercially available IrIIICl63−. © 2023 Elsevier Ltd and Techna Group S.r.l.

关键词： Transition metal oxides

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Flexible refractory castables based on the Al2O3-MgO-TiO2 system

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Ceramics International 2025年第15期51卷 20822-20829页

作者： Reitmann, B. Borges, O.H. Falsetti, L.O.Z. Pagliosa Neto, C. Pandolfelli, V.C. Federal University of São Carlos Graduate Program in Materials Science and Engineering São Carlos Brazil São Carlos Brazil RHI Magnesita Research and Development Center Contagem Brazil

Toughening by in-situ phase formation is highly desired for high-performance refractories, as it enhances their thermomechanical properties (e.g. thermal shock damage resistance). For this purpose, pseudobrookite and intermediary spinels are promising phases due to their thermal expansion mismatch, resulting in self-microcracking. Aiming to develop highly flexible refractory castables, compositions based on the Al2O3-MgO-TiO2 system were formulated with the aid of computational thermodynamics. Of the most promising compositions, five of them were experimentally produced and had their thermomechanical and physical properties assessed by X-ray diffraction, in-situ elastic modulus, thermal shock damage analysis (ΔT = 1000 °C) and scanning electron microscopy. Results pointed out that small titania contents led to a positive effect on microstructure densification, improving the mechanical performance of the refractories and generation of phases that induce microcracking upon cooling, enhancing the thermal shock damage resistance. Nevertheless, an excess of TiO2 led to extensive cracking and cohesion loss in the refractory matrix. © 2025

关键词： Microcracking

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Dense carbon nanofiber self-supporting electrode fabricated by orientation/compaction strategy for high volumetric lithium storage capacity

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Progress in Natural science:materials International 2025年第1期35卷 229-237页

作者： Haihui Liu Chaoqun Chen Qiang Xu Yan Song Xiangwu Zhang Chang Ma Tianjin Municipal Key Lab of Advanced Fiber and Energy Storage Technology Tiangong University CAS Key Laboratory of Carbon Materials Institute of Coal Chemistry Chinese Academy of Sciences Fiber and Polymer Science Program Department of Textile Engineering Chemistry and Science Wilson College of Textiles North Carolina State University

Low bulk density greatly restricts the large-scale application of electrospun carbon-based fiber membrane as electrode in energy storage devices. To solve the above challenges, herein an orientation-compaction densification strategy is proposed to enhance the bulk density and volumetric capacity of PAN-based carbon nanofiber membranes as self-supporting electrode used in lithium-ion batteries（LIBs）. Specifically, highly-oriented fibers are achieved by high-speed roller collecting during electrospinning, and compaction densification is conducted by hot-pressing treatment. The effects of collecting speed and hot-pressing pressure on the morphology, conductivity,bulk density, tensile strength, and flexibility of the obtained carbon nanofiber membrane are *** to conventional fiber membranes, of which fibers are disorderly stacked, the oriented fiber membrane is much easier to achieve dense stacking by compaction. The obtained dense carbon nanofiber membrane demonstrates a bulk density of 0.566 g cm-3, and shows a significantly-enhanced volumetric capacity(318.3 mA h cm-3), high-rate performance(86.6 mA h cm-3at 5 A g-1), and satisfactory cycling stability when used as selfsupporting electrode of LIBs.

关键词： Bulk density Densification Electrospinning Orientation-compaction Volumetric capacity

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