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Unlocking the stable interface in aqueous zinc-ion battery with multifunctional xylose-based electrolyte additives

Journal of Energy Chemistry 2025年第1期100卷 770-778页

作者： Xiaoqin Li Jian Xiang Lu Qiu Xiaohan Chen Yinkun Zhao Yujue Wang Qu Yue Taotao Gao Wenlong Liu Dan Xiao Zhaoyu Jin Panpan Li Institute for Advanced Study Chengdu University School of Mechanical Engineering Chengdu University College of Food and Biological Engineering Chengdu University Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China College of Materials Science and Engineering Sichuan University

The growth of dendrites and the side reactions occurring at the Zn anode pose significant challenges to the commercialization of aqueous Zn-ion batteries（AZIBs）. These challenges arise from the inherent conflict between mass transfer and electrochemical kinetics. In this study, we propose the use of a multifunctional electrolyte additive based on the xylose（Xylo） molecule to address these issues by modulating the solvation structure and electrode/electrolyte interface, thereby stabilizing the Zn anode. The introduction of the additive alters the solvation structure, creating steric hindrance that impedes charge transfer and then reduces electrochemical kinetics. Furthermore, in-situ analyses demonstrate that the reconstructed electrode/electrolyte interface facilitates stable and rapid Zn2+ion migration and suppresses corrosion and hydrogen evolution reactions. As a result, symmetric cells incorporating the Xylo additive exhibit significantly enhanced reversibility during the Zn plating/stripping process, with an impressively long lifespan of up to 1986 h, compared to cells using pure ZnSO4electrolyte. When combined with a polyaniline cathode, the full cells demonstrate improved capacity and long-term cyclic stability. This work offers an effective direction for improving the stability of Zn anode via electrolyte design, as well as highperformance AZIBs.

关键词： Solvation

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Nonlinearity of the Dipole Moment Surface and Intensities Anomaly of CHCl_(3)

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Chinese Physics Letters 2000年第1期17卷 13-15页

作者： LIN Hai YUAN Lan-Feng WANG Dong ZHU Qing-Shi Open Laboratory of bond Selective Chemistry and the Institute for Advanced StudiesUniversity of Science and Technology of ChinaHefei 230026

Relative absorption intensities of the Fermi resonance polyads of isolated C-H chromophore for the CHC13 molecule are calculated by one-dimensional dipole moment surface which had been obtained by the ab initio density functional method B3PW91 with 6-311++G(3df,2pd)basis set,and agree very well with the experimental *** is shown that the nonlinearity of the dipole moment surface in the vicinity of the equilibrium configuration is responsihle for the intensities anomaly,*** unusual strong intensities of the second Fermi resonance polyad.

关键词： Fermi dipole nonlinearity

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Ammonia pyrolysis oxidation excited by nanosecond pulsed discharge:Global/fluid models hybrid solution

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Journal of Energy Chemistry 2025年第1期100卷 385-396页

作者： Mingming Zhang Hanyu Wu Qi Chen Jiaxin Yang Bonan Liu School of Mechanical Electronic and Control Engineering Beijing Jiaotong University China university of Petroleum

The kinetic characteristics of plasma-assisted oxidative pyrolysis of ammonia are studied by using the global/fluid models hybrid solution ***,the stable products of plasma-assisted oxidative pyrolysis of ammonia are *** results show that the consumption of NH3/O2and the production of N2/H2change linearly with the increase of voltage,which indicates the decoupling of nonequilibrium molecular excitation and oxidative pyrolysis of ammonia at low ***,the detailed reaction kinetics mechanism of ammonia oxidative pyrolysis stimulated by a nanosecond pulse voltage at low pressure and room temperature is *** on the reaction path analysis,the simplified mechanism is *** detailed and simplified mechanism simulation results are compared with experimental data to verify the accuracy of the simplified ***,based on the simplified mechanism,the fluid model of ammonia oxidative pyrolysis stimulated by the nanosecond pulse plasma is established to study the pre-sheath/sheath behavior and the resultant consumption and formation of key *** results show that the generation,development,and propagation of the pre-sheath have a great influence on the formation and consumption of *** consumption of NH3by the cathode pre-sheath is greater than that by the anode pre-sheath,but the opposite is true for OH and O（1S）.However,within the sheath,almost all reactions do not ***,by changing the parameters of nanosecond pulse power supply voltage,it is found that the electron number density,electron current density,and applied peak voltages are not the direct reasons for the structural changes of the sheath and ***,the discharge interval has little effect on the sheath structure and gas mixture *** research results of this paper not only help to understand the kinetic promotion of non-equilibrium excitation in the process of oxidative pyrolysis but also help to explore th

关键词： Nanosecond pulsed discharge Ammonia Oxidative pyrolysis Fluid model Global model

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THE VISCOELASTIC EFFECT ON THE FORMATION OF MESO-GLOBULAR PHASE OF DILUTE HETEROPOLYMER SOLUTIONS

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Chinese Journal of Polymer Science 2003年第2期21卷 117-122页

作者： Chi Wu The Open Laboratory of bond Selective Chemistry Department of Chemical Physics, university of Science and Technology of China, Hefei 230026 China Department of Chemistry The Chinese university of Hong Kong Shatin, Hong Kong university of Science and Technology of China Laboratory of Bond Selective Chemistry CAS Hefei 230026

Linear homopolymer chains in poor solvent exist either as individual crumpled single chain globules or asmacroscopic precipitate, depending on whether the solution is in the one- or the two-phase region. However, linearheteropolymer chains in dilute solution might be able to form stable mesoglobules made up of a limited number of chains ifthe degree of amphiphilicity of the chain is sufficiently high and the experimental conditions are appropriate. The self-assembly of block copolymers in a selective solvent is typical of such examples. In practice, the formation of stablemesoglobules can be directly related to the formation of novel polymeric nanopaticles in solution. In this article, we willaddress the formaton of mesoglobular phase not only on the basis of thermodynamics, but also from a kinetic point of view,which leads to the discussion of how viscoelasticity can affect the phase behavior of heteropolymer chains in dilute *** formation and stabilization of several different kinds of novel polymeric nanopedicles will be used to illustrate ourdiscussion.

关键词： Viscoelasticity Mesoglobular phase Heteropolymer Nanoparticle Polymer Dispersion Microphase inversion

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Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material

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Journal of Energy Chemistry 2025年第1期100卷 259-272页

作者： Da Wan Shuwei Tang Shulin Bai Xiaodong Li Peng Ai Wanrong Guo Tuo Zheng College of Materials Science and Engineering Liaoning Technical University Faculty of Chemistry Northeast Normal University

Layered rare-earth metal oxides, harnessing the dual properties of oxides and two-dimensional layered materials, exhibit remarkable thermal stability and quantum confinement effects. Therefore, this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound. The coexistence of weak interlayer van der Waals interactions, robust intralayer ionic bonding, and partial covalent bonding leads to remarkable bonding heterogeneity, which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction. The weakened chemical bonds induced by the antibonding states, together with the rattling-like behavior of the Zn atom, culminate in the profound anharmonicity in the layered NdZnSbO compound. The weakening bond and heavy element contribute to the softness of phonon modes, which significantly diminishes the phonon group velocity. The redistribution-dominated four-phonon scattering process spans a large optical gap, which effectively reduces the lattice thermal conductivity. The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06) functional in combination with spin–orbit coupling(SOC) effect. The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy, thus amplifying the power factor. Consequently, an optimal figure-of-merit(ZT) of 3.40 at 900 K is achieved for the n-type NdZnSbO compound. The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.

关键词： bond strength (chemical)

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A New Hidden Markov Model for Protein Quality Assessment Using Compatibility Between Protein Sequence and Structure

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Tsinghua Science and Technology 2014年第6期19卷 559-567页

作者： Zhiquan He Wenji Ma Jingfen Zhang Dong Xu Department of Computer Science and Christopher S. bond Life Sciences Center University of Missouri MO 65211USA Christopher S. bond Life Sciences Center University of Missouri MO 65211 USA Department of Computer Science City University of Hong Kong

Protein structure Quality Assessment（QA） is an essential component in protein structure prediction and analysis. The relationship between protein sequence and structure often serves as a basis for protein structure *** this work, we developed a new Hidden Markov Model（HMM） to assess the compatibility of protein sequence and structure for capturing their complex relationship. More specifically, the emission of the HMM consists of protein local structures in angular space, secondary structures, and sequence profiles. This model has two capabilities：（1） encoding local structure of each position by jointly considering sequence and structure information, and（2）assigning a global score to estimate the overall quality of a predicted structure, as well as local scores to assess the quality of specific regions of a structure, which provides useful guidance for targeted structure refinement. We compared the HMM model to state-of-art single structure quality assessment methods OPUSCA, DFIRE, GOAP,and RW in protein structure selection. Computational results showed our new score HMM.Z can achieve better overall selection performance on the benchmark datasets.

关键词： protein structure prediction structure quality assessment Hidden Markov Model(HMM)

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New microsome-associated HT-family proteins from Nicotiana respond to pollination and define an HT/NOD-24 protein family

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Molecular Plant 2008年第4期1卷 634-644页

作者： Katsuhiko Kondo Bruce McClure Department of Biochemistry Interdisciplinary Plant Group and the Christopher S. Bond Life Sciences Center University of Missouri MI USA

HT-family proteins have been identified in Nicotiana, Solanum, and Petunia. HT-B-type proteins are implicated in S-RNase-based self-incompatibility, but the functions of other family members are unknown. Screening for cDNA sequences with an expression pattern similar to HT-B in Nicotiana alata revealed a new group of small HT-family proteins, designated HT-M. HT-M proteins resemble HT-B in several respects： their pistil-specific expression pattern is indistinguishable from HT-B, they pellet with a microsome fraction, and their abundance decreases after pollination. Unlike HT-B, there is no S-specificity to this response, and RNAi experiments show that HT-M proteins are not necessary for self-incompatibility. Identification of a third group of pistil-specific HT-family proteins helps better define the characteristics of the family and allowed identification of putative new family members. By searching the databases with only the most conserved HT- family sequence elements, the signal sequence and cysteine motifs, we identified nodulin-24-1ike proteins and several small glycine-rich proteins as putative HT-family members. Like HT-M and HT-B, nodulin-24 is membrane associated. We propose that the conserved features in HT-family proteins are important for targeting or modification and refer to the broader family that includes both HT- and nodulin-24-1ike proteins as the HT/NOD-24-family.

关键词： New microsome-associated HT-family pollination an HT/NOD-24 protein family

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FRACTAL NATURE OF LIGHT SCATTERING IN TISSUES

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Journal of Innovative Optical Health Sciences 2011年第1期4卷 1-7页

作者： STEVEN L.JACQUES Dermatology and Biomedical Engineering Oregon Health and Science university 3303 SW bond Ave Portland OR97239USA

Light scattering by a tissue has a wavelength dependence that depends on the size distribution of scatterers in the *** measuring the wavelength dependence of scattering,one can deduce changes in the nanoscale architecture of cells and *** report discusses the connection between nanoscale architecture and measurable light *** significance of this work is to develop label-free optical imaging that describes tissue structure,to complement the absorption,fluorescence,and Raman scattering spectra that describe the chemical constituents of a tissue.

关键词： Optical scattering fractal biomedical optics

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A mild, configurable, flexible CoNi-LDH（v）/Zn battery based on H-vacancy-induced reversible Zn2+ intercalation

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Journal of Energy Chemistry 2025年第1期100卷 498-508页

作者： Xinyue Cheng Dingsheng Wu Hao Gao Qingqing Wang Pengfei Lv Sam S.Yoon Qufu Wei Key Laboratory of Eco-textiles Ministry of Education Jiangnan University School of Mechanical Engineering Korea University

Flexible Zn-based batteries have attracted increasing research interest as essential components of wearable energy storage ***,the advancement of flexible aqueous Zn-based batteries based on Co-Ni layered double hydroxide （CoNi-LDH） as the cathode material is hampered by their poor cycling stability and the corrosiveness of alkaline ***,CoNi-LDH nanosheets enriched with H vacancies (CoNi-LDH（v）) were constructed on a flexible carbon cloth （CC） substrate via electrochemical deposition and *** Zn-based battery comprising CoNi-LDH（v）@CC as the cathode exhibited highly reversible conversion reactions and stable operation in 3 M ZnSO4electrolyte （pH=4）.The battery delivered an excellent specific capacity (225 mA h g-1,0.26 mA h cm-2),acceptable cycling stability（53.9%,900 cycles）,and high discharging *** abundant H vacancies served as active sites for the reversible intercalation of Zn2+and the extravasation of NO3-generated channels and space for Zn2+transport and storage,together enabling an excellent Zn2+storage ***,a sandwich-structured solid-state CoNi-LDH（v）@CC//Zn@CC battery was fabricated and was found to exhibit a noteworthy electrochemical performance and mechanical *** a proof of concept,the unencapsulated battery powered a digital watch under various deformation conditions and operated stably for 80 ***,the flexible battery displayed outstanding customizability,maintaining an open-circuit voltage of 1.42 V even after being cut *** proposed engineering strategy contributes to the realization of textiles with truly wearable energy-storage devices.

关键词： CoNi/Zn battery H vacancies Mild aqueous electrolyte Tailorable battery Wearable energy storage device

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Geometric and Electronic Properties of Highly Fluorinated Fullerene C74F38

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Chinese Physics Letters 2006年第9期23卷 2563-2565页

作者：吴海平卢功利袁勇波邓开明刘玉真杨金龙 Department of Applied Physics Naniing University of Science and Technology Nanjing 210014 Laboratory of bond Selective Chemistry University of Science and Technology of China Hefei 230026

Geometric and electronic properties of highly fluorinated fullerene C74F38 have been studied using the density functional theory at BLYP level with the double numerical atomic orbital basis sets with polarization functions （DNP）. The optimized geometry of C74F38, quite different from that of C74, turns into a pronounced hexahedron shape because the six stabilizing isolated benzenoid rings tend to be as far apart as possible. The HOMO-LUMO energy gap and the binding energy of C74F38 indicate that C74F38 is not only kinetically but also dynamically stable. The shorter F-C bond lengths together with the analysis of the density of states and the Mulliken populations indicate that the F-C bonds in C74F38 have both covalent and ionic characters. The Mulliken populations show that the fluorine atoms obtain about 10 electrons from the C74 cage.

关键词： CORRELATION-ENERGY KINETIC STABILITY DENSITY C-60 GAS DERIVATIVES EXCHANGE ANIONS C60F36 CARBON

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