[Research Topics]

Theoretical and Computational Study of Heterogeneous Catalysis. Current research interests include but are not limited to:

  • Structural Sensitivity of NanoCatalysts: phase, morphology, size and interface effects

  • Selectivity of Catalytic Reaction: syngas and methanol chemistry; C-O bond activation, C-C bond formation

  • Stability of NanoCatalysts: structural evolution, sintering and dynamic behaviors under reaction conditions.

[See Details]



Department of Chemical Physics,
School of Chemistry and Materials Science,
University of Science and Technology of China,
Jinzhai Road 96, Hefei 230026, China.

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