Accelerating the Development of High-Performance Sodium Ion Batteries with Machine Learning: from Large-Scale Screening to Experimental Validation

FAN, Jun (Principal Investigator / Project Coordinator)
LU, Yi Chun (Co-Principal Investigator)
XIE, Zhiyao (Co-Principal Investigator)
ZHI, Chunyi (Co-Principal Investigator)
CHIPOT, Christophe (Co-Investigator)
JIAO, Yang (Co-Investigator)

Department of Materials Science and Engineering

Project: Research

11 RGC 21 - Publication in refereed journal

11 results
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2026
Designing high-performance Ni/co single-atom catalysts for ORR/OER through spin-coordination engineering
Yu, L. (Co-first Author), Su, Z. (Co-first Author), Ma, N., Luo, S., Yeung, Y. Y., Si, Y., Ren, Y., Fan, J. & Wei, Z., 15 Mar 2026, In: Journal of Colloid and Interface Science. 706, 11 p., 139596.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
3 Link opens in a new tab Citations (Scopus)
Dipole-field interaction: a missing link to bridge the gap between theoretical and experimental catalysis in single-atom electrocatalysts for CO₂ reduction
Ren, R., Wang, Y., Li, B. & Fan, J., 4 Jun 2026, In: Chemical Communications. 62, 43, p. 10936-10939 4 p.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Open Access
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3 Downloads (CityUHK Scholars)
Strain-mediated solvation structure modulation governing ion selectivity in Zn(OTf)₂ /PAM hydrogel electrolytes
Luo, S., Wang, Y., Ma, X., Liang, B., Li, J., Zhi, C. & Fan, J., 15 Apr 2026, In: Chemical Engineering Journal. 534, 175008.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Theoretical exploration of strain regulation on the ORR/OER performance of S₄Ni@C₆₀ catalysts
Ma, N., Yu, L., Hu, Q., Li, D., Du, G., Liu, H., Ren, Y., Fan, J. & Wei, Z., 5 Sept 2026, In: Colloids and Surfaces A: Physicochemical and Engineering Aspects. 744, 9 p., 140566.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Topological and Physicochemical Origins of the Preferential Lithium Solvation of Organic Additives in Aqueous Electrolytes
Wang, T. (Co-first Author), Cui, H. (Co-first Author), Liang, B. (Co-first Author), Huang, Z., Ma, X., Zhu, X., Zhi, C. & Fan, J., 13 Jan 2026, In: ACS Nano. 20, 1, p. 338-348 11 p.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Tyrosine-driven hierarchical self-assembly unlocks robust non-Dopa wet adsorption in marine adhesive protein
Wang, L. (Co-first Author), Zheng, Z. (Co-first Author), Liao, Z. (Co-first Author), Zhang, P., Yang, J., Wei, H., Yan, J., Chu, X., Fan, J. & Liu, W., Jun 2026, In: Acta Biomaterialia. 217, 14 p.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
2025
Development of Coarse-Grained Lipid Force Fields Based on a Graph Neural Network
Liao, Z., Si, T., Wang, T., Kai, J.-J., Chipot, C. & Fan, J., 23 Sept 2025, In: Journal of Chemical Theory and Computation. 21, 18, p. 9175-9185
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Open Access
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7 Downloads (CityUHK Scholars)
Mechanistic Insights into Tris(trimethylsilyl) Phosphite as an Electrolyte Additive: Acid Scavenging and Triggering of FEC Degradation
Pan, Y. (Co-first Author), Wang, T. (Co-first Author), Song, R., Zhang, C., Wang, L., Lu, S., Liu, T. C., Qi, S., Huang, W., Liu, J., Zhu, G. & Fan, J., 4 Sept 2025, In: The Journal of Physical Chemistry C. 129, 35, p. 15597-15605
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Nonfluorinated membrane with a decentralized ion-transport network enables efficient and sustainable polysulfide redox flow batteries
Wang, F., Luo, S., Lei, J., Ai, F., Leung, K. L., Fan, J. & Lu, Y.-C., 7 Nov 2025, In: Science Advances. 11, 45, 13 p., eaea0032.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Open Access
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12 Link opens in a new tab Citations (Scopus)

5 Downloads (CityUHK Scholars)
RNA Binding Sensitivity of Nonstructural Protein 8 Revealed by Small-Angle Neutron Scattering and Alphafold2 Prediction
Jiang, X. (Co-first Author), Xu, J. (Co-first Author), Liao, Z., Wang, N., Zuo, T., Ma, C., Jiang, H., Ke, Y., Cheng, H., Wang, H., Zhao, J., Fan, J., Liu, J. & Chu, X., 28 Oct 2025, In: ACS Nano. 19, 42, p. 36876-36883 8 p.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Open Access
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5 Downloads (CityUHK Scholars)
Unveiling redox potential behavior in electrolytes: A machine learning approach to Li-ion coordination effects
Yang, D., Zhang, P., Xiong, Y., Wang, T., Wang, Q., Zhang, C., Wang, L., Lu, S., Liu, T. C., Qi, S., Huang, W., Liu, J., Zhu, G. & Fan, J., Dec 2025, In: Materials Today Energy. 54, 9 p., 102121.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
2 Link opens in a new tab Citations (Scopus)

Accelerating the Development of High-Performance Sodium Ion Batteries with Machine Learning: from Large-Scale Screening to Experimental Validation

Research output

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2026

2025