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Enhanced fast charging capabilities in natural graphite/iron cross-linked pectin electrodes for lithium-ion batteries

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Materials Advances 2024年第17期5卷 6820-6829页

作者： Chung, Chin-Yi Chen, Wei-Ming Chen, Yan-Ruei Chen, Liang-Yu Su, Yu-Hsuan Chi, Po-Wei Wu, Phillip M. Chang-Liao, Kuei-Shu Tang, Hong-Yi Wu, Maw-Kuen Institute of Physics Academia Sinica 128 Section 2 Academia Road Taipei11529 Taiwan Nano Science and Technology Program Taiwan International Graduate Program Academia Sinica and National Tsing Hua University 128 Section 2 Academia Road Taipei11529 Taiwan Department of Engineering and System Science National Tsing Hua University 101 Section 2 Kuang-Fu Road Hsinchu300044 Taiwan College of Science National Chung Hsing University 145 Xingda Road South District Taichung402 Taiwan Department of Applied Chemistry National Chi-Nan University 1 University Road Puli Nantou545301 Taiwan

Rapid charging capabilities are required for the broader adoption of lithium-ion batteries in emerging technologies such as electric vehicles. Although commercial graphite anodes provide a high energy density, their limitations in quick charging warrant the exploration of novel materials. This study extends prior research on the use of pectin, a natural polysaccharide, as an organic binder for graphite anodes. By introducing iron into pectin, we propose a unique ion-crosslinking mechanism that causes the graphite anode to exhibit pseudocapacitive Li storage. Our findings, corroborated by 3D Bode analysis and AC impedance spectra, revealed a positive correlation between the iron ion and the pseudocapacitive vertex in the graphite reaction. Compared with conventional binders, graphite electrodes utilizing iron-doped pectin demonstrated superior initial and stable capacities, reaching 450 mA h g−1 after 100 cycles at 1C. This study highlights the synergistic effect of pectin and iron ions, offering a new avenue for high-performance, rapid-charging, and environmentally sustainable lithium-ion batteries. © 2024 RSC.

关键词： Lithium-ion batteries

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Low-symmetry vacancy-related spin qubit in hexagonal boron nitride

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npj Computational Materials 2024年第1期10卷 1318-1326页

作者： Rohit Babar Gergely Barcza Anton Pershin Hyoju Park Oscar Bulancea Lindvall GergőThiering Örs Legeza Jamie H.Warner Igor A.Abrikosov Adam Gali Viktor Ivády HUN-REN Wigner Research Centre for Physics PO Box 49H-1525 BudapestHungary MTA-ELTE Lendület“Momentum”NewQubit Research Group Pázmány PéterSétány 1/A1117 BudapestHungary Department of Atomic Physics Insitute of PhysicsBudapest University of Technology and EconomicsMűegyetem rakpart 3.H-1111 BudapestHungary Walker Department of Mechanical Engineering and Materials Graduate Program Texas Materials InstituteThe University of Texas at AustinAustinTX78712USA Department of Physics Chemistry and BiologyLinköping UniversitySE-58183 LinköpingSweden Institute for Advanced Study Technical University of MunichLichtenbergstrasse 2a85748 GarchingGermany MTA-WFK Lendület“Momentum”Semiconductor Nanostructures Research Group PO Box 49H-1525 BudapestHungary Department of Physics of Complex Systems Eötvös Loránd UniversityEgyetem tér 1-3H-1053 BudapestHungary

Point defect qubits in semiconductors have demonstrated their outstanding capabilities for high spatial resolution sensing generating broad multidisciplinary *** boron nitride(hBN)hosting point defect qubits have recently opened up new horizons for quantum sensing by implementing sensing *** sensitivity of point defect sensors in hBN is currently limited by the linewidth of the magnetic resonance signal,which is broadened due to strong hyperfine couplings.

关键词： boron defect hexagonal

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Adhesion, infection, and therapeutic treatment of Helicobacter pylori: a review on current aspects and future promise

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Discover applied Sciences 2024年第6期6卷 323页

作者： Ong, Lih-Lih Lin, Chun-Hung Institute of Biological Chemistry Academia Sinica No.128 Academia Road Section 2 Nan-Kang Taipei11529 Taiwan Department of Applied Chemistry National Yang Ming Chiao Tung University 1001 University Road Eastern District HsinChu Taiwan Institute of Chemistry Academia Sinica No. 128 Academia Road Section 2 Nan-Kang Taipei11529 Taiwan Sustainable Chemical Science and Technology Taiwan International Graduate Program Academia Sinica No. 128 Academia Road Section 2 Nan-Kang Taipei11529 Taiwan Department of Chemistry and Institute of Biochemical Sciences National Taiwan University Taipei Taiwan

Background: Helicobacter pylori is a Gram-negative bacterium infecting over half of the human population worldwide. In addition to causing chronic gastritis, the bacterial infection often progresses to gastrointestinal pathologies at various degrees, including gastric carcinoma. World Health Organization announced in 1994 that H. pylori is Group 1 carcinogen. Although antibiotics-based treatment is mostly effective, the alarming rise in drug resistance have resulted in a serious concern for the health. Main body: This review covers the aspects of bacterial infection, epidemiology and therapy of H. pylori. An additional emphasis is placed on the bacterial adhesion and anti-adhesion because the attachment of H. pylori to gastric epithelial cells is crucial for the pathogenesis. We review several anti-adhesion agents that have been shown to interfere with the bacterial adhesion. These agents can either function as receptor and adhesin analogs or foster preventive probiotics. Furthermore, cholesteryl 6′-O-acyl-α-d-glucopyranoside (CAG), exclusively produced in H. pylori by the unique biosynthetic pathway, has been shown critical for the bacterial virulence. Studies are reviewed to show how CAG influences bacterial adhesion by affecting membrane features, including lipid rafts clustering. Conclusion: Owing to the emerging threat of multiple drug resistance, current therapy is not always effective to H. pylori infection, demonstrating the necessity to develop other alternatives. The approaches of anti-adhesion appear to be attractive since they blockade the initial step of bacterial pathogenesis. This in-depth review of anti-adhesive agents and corresponding mechanisms showcases their potential for future development of therapeutic intervention. © The Author(s) 2024.

关键词： Antibiotics

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Production of Single Crystalline Seeds of Organic Nonlinear Optical Materials via Laser Ablation

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Journal of Physical chemistry C 2023年第28期127卷 14005-14012页

作者： Takahashi, Hozumi Shiraiwa, Megumi Mag-Usara, Valynn Katrine Dai, Ruochen Agulto, Verdad C. Kato, Kosaku Nakajima, Makoto Yamaji, Mayu Nakabayashi, Seiichiro Maruyama, Mihoko Mori, Yusuke Yoshimura, Masashi Yoshikawa, Hiroshi Y. Department of Applied Physics Graduate School of Engineering Osaka University 2-1 Yamada-oka Osaka Suita565-0871 Japan Department of Chemistry Graduated Schools of Science and Engineering Saitama University Shimo-okubo 255 Sakura-ku Saitama338-8570 Japan Osaka University 2-6 Yamada-oka Osaka Suita565-0871 Japan Department of Applied Chemistry and Center for Emergent Functional Matter Science National Yang Ming Chiao Tung University Hsinchu30010 Taiwan Division of Electrical Electronic and Infocommunications Engineering Graduate School of Engineering Osaka University 2-1 Yamada-oka Osaka Suita565-0871 Japan Graduate School of Life and Environmental Science Kyoto Prefectural University 1-5 Hangi-cho Shimogamo Sakyo-ku Kyoto606-8522 Japan

Production of single crystal seeds of organic nonlinear optical materials (4-dimethylamino-N-methly-4-stilbazolium tosylate, DAST) by laser ablation was demonstrated. Here, laser ablation of DAST crystals in a supersaturated solution was induced with focused laser pulses, which resulted in the generation of crystal seeds that grew independently from the original (mother) crystal. We found that the seed crystals showed single crystallinity with nonlinear optical properties (terahertz wave generation), indicating that laser irradiation did not deteriorate the quality of the seed crystals. Systematic screening of laser parameters showed that the number of seed crystals tends to increase with laser energy and pulse duration. High-speed imaging of the microseeding dynamics revealed that the generation of seed crystals could be attributed to not only primary effects of laser ablation (e.g., melting, vaporization, and mechanical disruption via photoexcitation of crystals) but also secondary effects such as mechanical stimuli due to laser-induced cavitation bubbles. This laser ablation method is expected to be used as a practical tool for the precise spatial control of the microseeding of various functional materials. © 2023 American Chemical Society.

关键词： Laser ablation

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Accurate Formula for the Effective Conductivity of Highly Clustered Two-Phase Materials

arXiv

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arXiv 2025年

作者： Skolnick, Murray Torquato, Salvatore Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Chemistry Department of Physics Princeton Materials Institute and Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

Two-phase heterogeneous materials arising in a variety of natural and synthetic situations exhibit a wide-variety of microstructures and thus display a broad-spectrum effective physical properties. Given that such properties of disordered materials generally depend on an infinite-set of microstructural correlation functions that are typically unobtainable, in practice, one must consider rigorous bounds and approximations on the effective properties that depend on a limited set of nontrivial microstructural information. Torquato derived [Random Heterogeneous Materials, Microstructure and Macroscopic Properties (2002)] such an approximation for the effective thermal/electrical conductivity of two-phase microstructures that perturb about those that realize the well-known self-consistent formula;a key feature of such microstructures being phase-inversion symmetry which can be observed in certain cellular, bicontinuous, and porous materials. Here, we show via extensive numerical simulations that this virtually unexamined approximation, which depends on up to three-point correlations, predicts accurately the effective conductivities of various two- and three-dimensional two-phase microstructures across phase volume fractions in which both phases can form large and well-connected clusters;including certain phase-inversion symmetric microstructures as well as phase-inversion asymmetric dispersions of certain fully penetrable particles. We also highlight the accurate sensitivity of this approximation to phase-connectedness properties by showing that it predicts percolation thresholds that are in good quantitative and/or qualitative agreement with known thresholds for the models considered here. Finally, we discuss how this formula can be used to design materials with desirable effective conductivity properties and thus aid in materials by design. © 2025, CC BY-SA.

关键词： Porous materials

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Non-Hermitian selective thermal emitter for thermophotovoltaics

Non-Hermitian selective thermal emitter for thermophotovolta...

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2023 Conference on Lasers and Electro-Optics, CLEO 2023

作者： Prasad, Ciril S. Raphaelson, Samuel C. Naik, Gururaj V. Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Material Science and NanoEngineering Rice University HoustonTX United States

ISBN: (纸本)9781957171258

Selective thermal emitters can boost the efficiency of heat-to-electricity conversion in thermophotovoltaic systems only if their spectral selectivity is high. We demonstrate a non-Hermitian metasurface-based selective emitter operating at 1200 K in a GaSb-thermophotovoltaic cell. © Optica Publishing Group 2023 © 2023 The Author(s)

关键词： III-V semiconductors

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Electronic properties of 3d transition metal dihalide monolayers predicted by DFT methods: Is there a pattern or are the results random?

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Journal of the Chinese Chemical Society 2023年第3期70卷 359-371页

作者： Chiu, Cheng-chau Wang, Chung-Yu Huang, Bo-Jie Kuo, Jer-Lai Department of Chemistry National Sun Yat-sen University Kaohsiung Taiwan Center for Theoretical and Computational Physics National Sun Yat-sen University Kaohsiung Taiwan Green Hydrogen Research Center National Sun Yat-sen University Kaohsiung Taiwan Institute of Atomic and Molecular Sciences Academia Sinica Taipei Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei Taiwan Department of Chemistry National Tsing Hua University Hsinchu Taiwan International Graduate Program of Molecular Science and Technology (NTU-MST) National Taiwan University Taipei Taiwan

We use periodic DFT calculations at LDA and PBE level to investigate 3d transition metal dihalide (TMDH) monolayers in H- and T-phase. By analyzing the phonon dispersion, we have obtained a rough overview which combinations may form stable structures. We have focused on identifying and explaining trends in the predicted electronic properties. Although their geometric structures are simple, the associated electronic and magnetic properties are not as easy to understand. At first glance, it seems that there is no clear trend, as even isovalence-electronic TMDH monolayers formed from the same metal but different halides can feature different magnetic moments. The identification of potential trends is further complicated by the fact that for a significant number of species, LDA results and PBE results predict different ground-state electronic structures. By rigorously analyzing the potential energy surfaces associated with different magnetic moments, we could show that the apparent inconsistencies can be easily understood as a result of the differences in the relative energy between electronic states of different magnetic moments. We further show that the trends in the band gaps can be easily rationalized by an electron counting rule based on simple symmetry arguments. © 2022 Chemical Society Located in Taipei and Wiley-VCH GmbH.

关键词： 2D materials DFT electronic structure monolayer spin transition metal dihalides

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Characterization of Fossils by Gamma-Ray Spectrometry

SSRN

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SSRN 2023年

作者： Rodríguez, Duvan Gil Bastos, Rodrigo Oliveira Ikeoka, Renato Akio Graduate Program in Applied Chemistry Universidade Estadual do Centro Oeste do Paraná Brazil Department of Physics Universidade Estadual do Centro Oeste do Paraná Brazil

Non-destructive analytical techniques are essential tools for the study of objects with historical and cultural value. Restrictions and difficulties are imposed on the characterization, since the objects cannot be damaged in the sample preparation process. Gamma-ray spectrometry (GRS), without strict control of the measurement geometry, can serve as a complementary, low-cost and non-destructive technique in these research areas. Unlike most other nuclear analytical techniques, gamma spectrometry detects photons from all points in the sample volume, bringing results related to the total chemical and mineralogical composition of the piece. In the case of fossils, GRS data may be interpreted to provide information about some diagenesis processes (mineralization) and the redox conditions of the sedimentary environment in which they were formed. This article presents the GRS measurements of 32 fossil samples from the Guarapuava Museum of Natural Sciences. The results demonstrated the feasibility of characterizing fossil samples with irregular geometries and varied densities using gamma ray spectrometry. © 2023, The Authors. All rights reserved.

关键词： Nondestructive examination

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Deuteration removes quantum dipolar defects from KDP crystals

arXiv

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arXiv 2024年

作者： Yang, Bingjia Xie, Pinchen Car, Roberto Department of Chemistry Princeton University PrincetonNJ08544 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States Department of Chemistry Department of Physics Program in Applied and Computational Mathematics Princeton Materials Institute Princeton University PrincetonNJ08544 United States

The structural, dielectric, and thermodynamic properties of the hydrogen-bonded ferroelectric crystal potassium dihydrogen phosphate (KH2PO4), KDP for short, differ significantly from those of DKDP (KD2PO4) [1, 2]. It is well established that deuteration affects the interplay of hydrogen-bond switches and heavy ion displacements that underlie the emergence of macroscopic polarization, but a detailed microscopic model is missing [3, 4]. Here we show that all-atom path integral molecular dynamics simulations can predict the isotope effects, revealing the microscopic mechanism that differentiates KDP and DKDP. Proton tunneling in the hydrogen bonds generates phosphate configurations that do not contribute to the polarization. These dipolar defects are always present in KDP, but disappear at low temperatures in DKDP, which behaves more classically. Quantum disorder confers residual entropy to ferroelectric KDP, explaining its lower spontaneous polarization and transition entropy relative to DKDP. Tunneling should also contribute to the anomalous heat capacity observed in KDP near absolute zero [5, 6]. The prominent role of quantum fluctuations in KDP is related to the unusual strength of the hydrogen bonds in this system and should be equally important in the other crystals of the KDP family, which exhibit similar isotope effects [7]. © 2024, CC BY.

关键词： Hydrogen bonds

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Influence of Ru-substitution on the performance of pyrochlore catalysts in oxidative steam reforming of ethanol

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Sustainable Energy and Fuels 2024年第9期8卷 2104-2114页

作者： Huang, Yu-Hsuan Hsieh, Ho-Chen Wang, Yun-Hsin Weng, Sheng-Feng Lee, Chi-Shen Department of Applied Chemistry National Yang Ming Chiao Tung University 1001 University Rd Hsinchu 30010 Taiwan Graduate Degree Program of Science and Technology of Accelerator Light Source National Yang Ming Chiao Tung University Hsinchu 30010 Taiwan Center for Emergent Functional Matter Science National Chiao-Tung University Hsinchu 30010 Taiwan

This study introduces a series of Ru-substituted pyrochlore catalysts, achieved by using La2Zr2−xRuxO7−δ (LZRO-00-04, x = 0.0-0.4) during the oxidative steam reforming of ethanol reaction (OSRE). The samples were cha...

This study introduces a series of Ru-substituted pyrochlore catalysts, achieved by using La₂Zr_2−xRu_xO_7−δ (LZRO-00-04, x = 0.0-0.4) during the oxidative steam reforming of ethanol reaction (OSRE). The samples were characterized using X-ray diffraction (XRD), temperature programmed reduction (TPR), and X-ray photoelectron spectroscopy (XPS). The reduction behavior and catalytic performance correlate directly with the Ru content. The 5 wt% LZRO02 catalytic system outperforms the supported Ru-based catalyst (5 wt% RuO₂/LZO), boasting lower Ru concentrations (2.66 wt%). The enhancement is attributed to the uniform dispersion of Ru ≥ 4+ ions embedded within the pyrochlore structure, as convincingly supported by the XPS result. This underscores notable distinctions between the internal and external structures of the two systems. On the other hand, our extensive long-term testing of LZRO02 across γ-Al₂O₃ and lab-made LZO carriers, coupled with meticulous mapping and Raman analysis, revealed a significant observation: the catalyst exhibits notably reduced aggregation tendencies and enhanced activity when utilized on the LZO carrier. The La₂Zr_1.8Ru_0.2O_7−δ catalyst supported on LZO demonstrated selectivity of hydrogen S_H = 86.4(1)%;Y_H = 2.55(3) (mol/mol EtOH) for long-term stability tests at T = 400 °C, C/O = 0.6, and O₂/C₂H₅OH = 1.5. This discovery underscores the catalyst's remarkable stability and activity, making it a promising candidate for catalytic applications. © 2024 The Royal Society of chemistry.

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