High-Energy-Density Biomass Fuels and Their Catalytic Reaction Mechanisms

The global transition toward carbon neutrality has intensified the search for sustainable alternatives to petroleum-derived fuels. Among various renewable options, high-energy-density (HED) biomass fuels — including cycloalkanes, polycyclic hydrocarbons, and long-chain alkanes derived from lignocellulose, vegetable oils, and platform molecules such as furfural and 5-hydroxymethylfurfural — offer volumetric and gravimetric energy densities approaching those of conventional jet and diesel fuels. These fuels hold particular promise for applications in aviation, heavy-duty transport, and military propulsion systems, where electrification remains impractical and energy density is a non-negotiable requirement.Despite significant progress, major challenges persist: achieving high carbon efficiency and selectivity during multi-step catalytic upgrading, designing catalysts with long-term stability under harsh reaction conditions, and establishing clear structure–activity relationships that guide rational catalyst development. A deeper, mechanistic understanding of the catalytic pathways — including hydrodeoxygenation, aldol condensation, alkylation, hydrogenation–dehydrogenation coupling, and C–C bond formation/cleavage — is essential for unlocking more efficient and scalable production routes.This Research Topic aims to bring together cutting-edge research on the synthesis, catalytic conversion, and reaction mechanisms of high-energy-density fuels derived from biomass. The scope covers both experimental and computational approaches, bridging fundamental mechanistic insights with practical catalyst and process design.We welcome original research articles, reviews, mini reviews, and perspectives addressing, but not limited to, the following themes:• Catalytic synthesis routes to high-energy-density hydrocarbons (e.g., cyclopentane, decalin, diamondoids, branched alkanes) from biomass-derived feedstocks• Reaction mechanism studies of key transformations including hydrodeoxygenation (HDO), aldol condensation, Diels–Alder cycloaddition, ketonization, and hydroalkylation• Catalyst design, characterization, and structure–activity relationships for biomass upgrading (e.g., zeolites, bifunctional metal/acid catalysts, noble and non-noble metal catalysts, single-atom catalysts)• In situ/operando spectroscopic and computational investigations of catalytic reaction pathways• Density functional theory (DFT) and microkinetic modeling of biomass conversion processes• Novel catalytic strategies for improving carbon yield, selectivity, and energy density of bio-derived fuels• Techno-economic and life-cycle assessment of HED biomass fuel production• Integration of catalytic biomass conversion with biorefinery concepts and renewable energy systemsThis Research Topic seeks to foster interdisciplinary exchange among researchers in catalysis, chemical engineering, renewable energy, and computational chemistry, and to accelerate the transition from laboratory innovation to industrially viable high-energy-density biofuel production. Topic editors: Genkuo Nie, Tingting Huang, Mengya Guo, Xiaopo Niu, Junjian Xie Source: https://www.frontiersin.org/research-topics/80405/high-energy-density-biomass-fuels-and-their-catalytic-reaction-mechanisms