Abstract
The growing demand for high-performance lithium-ion batteries necessitates electrode materials capable of simultaneously delivering high capacity, stable charge transport, and effective thermal management, particularly in thick-electrode architectures used in next-generation energy systems. This study introduces a tailored multiphysics modeling framework to analyze the thermal–electrical behavior of ZnO/mesoporous carbon (ZnO/MC) nanocomposite anodes, which combine the high theoretical capacity of ZnO with the conductive, porous, and thermally robust character of mesoporous carbon. Using a particle-resolved COMSOL geometry that explicitly embeds discrete ZnO nanoparticles within a mesoporous carbon matrix, the model integrates transient heat conduction, Joule heating, exothermic conversion-reaction heat, temperature-dependent electrical conductivity, and realistic interfacial resistance effects. This material-specific approach addresses limitations of conventional homogenized or generic battery simulations. Results for a 150 µm electrode cycled at 1C demonstrate an 11.8% reduction in peak temperature (42.8 °C versus 48.5 °C for pure ZnO) and a 21.4% decrease in potential drop (0.09 V versus 0.14 V), driven by enhanced heat dissipation and uniform current pathways provided by the carbon network. Parametric analyses across C-rates and electrode thicknesses further show that ZnO/MC suppresses hotspot formation, minimizes polarization, and maintains transport uniformity even under fast-charging and high-areal-capacity conditions. Validation against experimental CV and EIS data confirms strong reproducibility and accuracy of the coupled model. Overall, this work highlights ZnO/MC as a promising anode material and establishes a robust, extensible multiphysics methodology that advances the understanding and optimization of heterogeneous nanocomposites for safer and higher-efficiency lithium-ion batteries.
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Data availability
The datasets used and analysed during the current study available from the corresponding author on reasonable request.
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M.A. and G.P.P. developed the simulation methodology and performed the computational modeling. S.A. and S.R. contributed to data analysis, validation, and interpretation of results. A.P. and R.S. assisted in literature review, drafting sections of the introduction, and refining the discussion. A.S.C. prepared the figures and assisted in result visualization. A.N. conceptualized and supervised the study, coordinated the research activities, and wrote the main manuscript text. All authors reviewed, edited, and approved the final version of the manuscript.
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Abushuhel, M., Priya, G.P., Al-Hasnaawei, S. et al. Thermal–electrical multiphysics modeling of ZnO/mesoporous carbon nanocomposite anodes for lithium-ion batteries. Sci Rep (2026). https://doi.org/10.1038/s41598-026-40242-x
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DOI: https://doi.org/10.1038/s41598-026-40242-x
