Author

Laizhi Sun

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Review Open access Aug 2026

A Review of DFT Studies in Biomass Pyrolysis and Gasification

Biomass thermochemical conversion is a key route for converting renewable carbon into fuels and high-value chemicals, and density functional theory (DFT) has been used to elucidate its microscopic mechanisms. This review summarizes DFT studies of reaction pathways, key intermediates, and catalyst-surface mechanisms in...

Ying Wang, Bao-Feng Zhao, Chong-Min Wang et al. · Journal of Solid Waste Valor... · 0 citations

Open access Sep 2026

Constructing Ultrafine Ru Nanoclusters via a Dual‐Confinement Strategy: Synergizing Hierarchical Pores and Electronic Modulation for Efficient Lignin Hydrogenolysis

Lignin hydrogenolysis is a promising route to separable aromatic monomers, yet practical upgrading is still hindered by macromolecular mass‐transfer limitations and the aggregation/deactivation of metal sites. Herein, we propose a “dual‐confinement” strategy to construct ultrafine Ru nanoclusters supported on lignin‐...

Tian-Jin Li, Wei-Min Zhang, Ping-Xian Feng et al. · Rare Metals · 0 citations