Yushan Bu

A reactive molecular dynamics study of thermal pyrolysis behavior and mechanisms of lignin during the hydrothermal process: The function of the water molecules

Chunhe Jiang, Liang Wang, Kejiang Li et al. · Bioresource Technology · 2022 · 33 citations

Liquefaction, Chemical Engineering, Engineering +10

Mechanical behavior and failure mechanism of multilayer graphene oxides with various oxygen contents and functional types: A ReaxFF molecular dynamics simulation

Yushan Bu, Kejiang Li, Feng Guo et al. · Applied Surface Science · 2022 · 31 citations

Materials Science, Graphene Nanomeshes, Multilayer Graphene Oxides +11

Evolution of layer distance and structural arrangement of graphene oxide with various oxygen content and functional types in low temperature: A ReaxFF molecular dynamics simulation

Yushan Bu, Kejiang Li, Zixing Xiong et al. · Applied Surface Science · 2021 · 29 citations

Materials Science, Graphene Nanomeshes, Engineering +10

Molecular insights into bituminous coals pyrolysis: a combined study using spectroscopic techniques, thermogravimetric-mass spectrometry and ReaxFF molecular dynamics simulations

Zhen Sun, Kejiang Li, Yushan Bu et al. · Energy · 2025 · 29 citations

Impact of oxidants O2, H2O, and CO2 on graphene oxidation: A critical comparison of reaction kinetics and gasification behavior

Zeng Liang, Rita Khanna, Kejiang Li et al. · Chemical Engineering Journal · 2022 · 27 citations

Materials Science, Graphene Nanomeshes, Chemical Engineering +10