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Verified CAS / Academic Author2 Decoded Studies

Prof. JIANG Ding

School of Chemistry, Xi'an Jiaotong University

Co-Affiliations:School of Energy and Power Engineering, Jiangsu University

Research Publications & English Decoded Briefs

Showing 2 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3748-9

Elimination of lattice strain to reconstruct ion transport channels facilitates direct regeneration of spent LiFePO4 cathode materials

Direct regeneration is a sustainable solution for recycling spent lithium-ion batteries (LIBs), yet the irregular strains induced by the irreversible FePO4 phase after cycling hinder Li+ replenishment in spent LiFePO4 cathodes. This study proposes a lattice stress modulation strategy that reduces FePO4 to Fe2P2O7, reducing unit cell volume from 271.7 to 122.6 Å3, releasing residual stress and reconstructing continuous Li+ transport channels. The phase transformation reconstructs FeO6 octahedra, lowering the migration energy barrier for ions. This synergistically weakens steric effects, facilitating Li+ replenishment and eliminating Li-Fe anti-site defects. Regenerated LiFePO4 cathodes achieve 80.2% capacity retention after 1000 cycles at 2C, outperforming commercial cathodes. The work establishes fundamental principles for the pre-treatment stage of direct regeneration and provides a paradigm-shifting solution for sustainable LIB recycling.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60710-4

Reaction Network Database for Fast Pyrolysis of Vanillyl Alcohol Based on Molecular Wavefunction Descriptors

Lignin pyrolysis is a promising route for sustainable production of high-value phenolic chemicals, yet the intricate radical reaction network remains a major bottleneck to optimizing product selectivity. This work constructs a standardized DFT computational database that systematically describes the fast pyrolysis of vanillyl alcohol at 823.15 K. The database features three key components: primary reaction pathways, thermodynamic energy barriers, and atomic-level electronic fingerprints. The dataset covers primary reaction pathways, secondary rearrangements, and both global and local reactivity indices of key intermediates. Notably, it innovatively integrates electronic-structure fingerprints, filling the gap in reaction-network–electronic-property correlation data. Standardized computational workflows and rigorous quality control ensure accuracy, consistency, and reproducibility. The public release of this dataset provides a reliable theoretical benchmark for mechanistic studies of lignin pyrolysis and offers foundational data support for rational design of new catalysts and refinement of reaction kinetic models. Ultimately, this database not only provides an important reference for data-driven catalyst development but also lays a theoretical foundation for precise regulation of lignin depolymerization.