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Engineering micropore accessibility in ligand-modified hard-carbon anodes for homogeneous sodium-ion storage

Suleiman Ibrahim MohammadResearch follower, INTI International University, Negeri Sembilan, 71800, MalaysiaAsokan VasudevanFaculty of Business and Communications, INTI International University, Negeri Sembilan, 71800, MalaysiaRashed Abu HammourFaculty of Technical Education, Hourani Center for Applied Scientific Research (HCASR), Al-Ahliyya Amman University, Amman, JordanR RoopashreeDepartment of Chemistry and Biochemistry, School of Sciences, JAIN (Deemed to be University), Bangalore, Karnataka, IndiaAarti SharmaCentre for Promotion of Research, Graphic Era Hill University, Dehradun, Uttarakhand, IndiaRahul SaxenaDepartment of Biochemistry, Sharda University, knowledge Park III, Greater Noida, IndiaHarvinder Singh SohalDepartment of Chemistry, University Institute of Sciences, Chandigarh University, Mohali, Punjab, IndiaFaiz MahmoodDepartment of chemistry from university of Education Lahore 54000 Lahore, PakistanShoyimqulov AsrorDepartment of Information Technology and Exact Sciences, Termez University of Economics and Service, Termez, UzbekistanAmir ArsalaniradIslamic Azad University Central Tehran Branch

2026en

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Litsenziya: cc-by

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Annotatsiya

Hard-carbon anodes are promising negative-electrode materials for sodium-ion batteries, yet their practical utilization remains limited by nonuniform ion transport, localized reaction demand, and resistive solid–electrolyte interphase (SEI) growth. Here, micropore accessibility is engineered as a controllable electrode-design variable for regulating sodium-storage uniformity in pristine and ligand-modified corncob-derived hard-carbon anodes. A coupled porous-electrode framework was developed for C1400, MPA-modified hard carbon, and EDT-modified hard carbon by integrating sodium-ion transport, electrolyte and solid-phase charge conservation, Butler–Volmer interfacial kinetics, accessibility-dependent reaction redistribution, and dynamic SEI evolution. A calibrated accessibility factor was introduced to link micropore availability, surface chemistry, and SEI resistance, while a composite Reaction Uniformity Index (RUI*) was used to quantify current-density uniformity, active-region participation, and reaction penetration depth. The results show that ligand modification improves sodium-storage behavior primarily through reaction-field homogenization rather than isolated kinetic acceleration. At deep sodiation, the terminal normalized Na⁺ concentration increased from 0.806 for C1400 to 0.895 for C-EDT, while the electrolyte-potential drop decreased from 28.6 to 16.8mV. The final SEI resistance was reduced from 43.3Ω cm² for C1400 to 14.2Ω cm² for C-EDT, accompanied by a 44.2% decrease in the transport limitation index. Monte Carlo uncertainty propagation and Sobol sensitivity analysis confirmed that accessibility, SEI resistance, tortuosity, and solid-state sodium diffusivity govern the robustness of the predicted trends. Independent CR2032-cell validation supported the reduced interfacial resistance, lower polarization, and improved cycling stability, with MAE, RMSE, MAPE, and R² values of 6.80%, 7.60%, 7.30%, and 0.947, respectively.

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DOI: 10.1016/j.rineng.2026.113034

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