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He Li

Northeast Electric Power University

China

  • Northeast Electric Power University

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Binding-Site-Dependent Na⁺ Coordination in the Conversion of 5-Hydroxymethylfurfural toward Hydrochar Precursors: A DFT Molecular Modeling Study

Number of pages: 26 Posted: 10 Jul 2026
Deyong Che, He Li, Qihao Chen, Shuai Guo, Long Gao, Yimei Song and Baizhong Sun
Northeast Electric Power University - School of Energy and Power Engineering, Northeast Electric Power University, Northeast Electric Power University, Northeast Electric Power University - School of Energy and Power Engineering, Northeast Electric Power University, Northeast Electric Power University and Northeast Electric Power University - School of Energy and Power Engineering
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Abstract:

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5-hydroxymethylfurfural, hydrothermal carbonization, hydrochar precursor, sodium ion, Density Functional Theory, Reaction mechanism, binding-site-dependent catalysis