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Resolving the severe issues such as electric field distortion, dendritic zinc growth, and uneven zinc deposition under high depths of discharge (DOD) has become a significant hurdle of the aqueous zinc-ion batteries (ZIBs). To address these challenges, an interfacial regulation strategy is proposed based on the molecular damping effect, in which a trace amount of weakly adsorbing additive is employed to stabilize the Zn anode interface by mitigating energy shocks and ionic disturbances induced by electric field fluctuations. Trace perfluorinated PSVE (erfluoro-3,6-dioxa-4-methyloct-7-enesulphonyl fluoride) is introduced to the traditional ZnSO electrolyte to optimize Zn deposition behavior on the zinc anode. Thus, the Zn//Zn symmetric batteries exhibit a prolonged cycling lifespan of over 200 h, even when operated at a high DOD of 85.5%. Additionally, the NVO (NaVO) cathodes coupled with Zn anodes and modified electrolyte present a more stable capacity retention, maintaining a capacity of 141.98 mAh g after 1000 cycles. Similarly, the full batteries assembled with the same electrodes in a ZnSO electrolyte retain only 51.49 mAh g capacity after the same conditions. This work highlights the potential of the molecular damping effect as a promising solution for improving high DOD performance in ZIBs.
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http://dx.doi.org/10.1002/advs.202507071 | DOI Listing |
J Chem Phys
September 2025
Department of Physics, Stockholm University, 10691 Stockholm, Sweden.
The water molecule's electronic Cartesian multipole moment and polarizability tensors have been fitted with Gaussian process regression to the internal coordinates and are used to evaluate accurate electrostatic, induction, and dispersion energy components between flexible molecules. The model yields a handful of damping and scaling parameters that were adjusted for the energy components to agree with 2-body symmetry-adapted perturbation theory decomposition and then fine-tuned in order for the total energy to agree with CCSD(T) for small clusters. We present a simple algorithm for rotating symmetric Cartesian tensors and employ a dispersion potential based on multipole polarizabilities.
View Article and Find Full Text PDFPolymers (Basel)
August 2025
Research Institute for Green Energy Convergence Technology, Gyeongsang National University, Jinju 52828, Republic of Korea.
Electrospun nanofibrous mats from bovine, porcine, and fish gelatin were systematically fabricated at varying concentrations (15, 20, 25, and 30 wt.%) to investigate the influence of molecular characteristics on morphology, crystallinity, mechanical properties, thermal behavior, and solubility. Optimal ranges of viscosity (0.
View Article and Find Full Text PDFJ Mol Model
August 2025
Key Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, P. R. China.
Context: Melamine, widely employed as a high-efficiency flame retardant, exhibits an intricate high-temperature degradation mechanism that remains poorly understood. Comprehensive insight into its pyrolysis behavior is critical for advancing flame-retardant material design. This study employs ReaxFF molecular dynamics simulations to investigate melamine's thermal decomposition, elucidating initial reaction pathways, intermediate species formation, and final product distribution.
View Article and Find Full Text PDFSmall
August 2025
School of Material Science and Engineering, Beijing Institute of Technology, No.5 South Zhongguancun Street, Haidian District, Beijing, 100081, China.
Developing high-performance elastomers that simultaneously exhibit high strength, excellent elasticity, broad temperature-range damping, and multifunctionality remains a significant challenge in materials science. In this study, a supramolecular polyurethane elastomer (PUTAZn) is successfully synthesized by constructing a hierarchical hydrogen-bonding network via tartaric acid (TA) chain extension and incorporating dynamic zinc ion coordination crosslinking. The hierarchical hydrogen bonds display an ordered, temperature-dependent dissociation behavior and maintain a dynamic balance between dissociation and reformation, leading to a broad damping peak in the Damping factor (tan δ) profile.
View Article and Find Full Text PDFAnal Chem
August 2025
Department of Chemistry, University of Ulsan, 93 Daehak-ro, Nam-gu, Ulsan 44610, South Korea.
Bimetallic gold nanorods decorated with platinum islands (AuNRs@Pt) are widely recognized as promising photothermal agents due to their localized surface plasmon resonance (LSPR) effects, which enable localized heat generation for photothermal therapy (PTT). Additionally, photodynamic therapy (PDT) using photosensitizers (PSs) offers synergistic potential for light-activated cancer treatment. This study investigates the fluorescence behavior and plasmon energy transfer mechanisms of dumbbell-shaped AuNRs@Pt with varying Pt coverages, functionalized with thiolated β-cyclodextrin (SH-βCD) as a host for methylene blue (MB), which serves as a PS.
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