Sci. Adv. 5 (2019) eaat6413
ACS Catal. 7 (2017) 887–891
J. Phys. Chem. Lett. 7 (2017) 5302–5306
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.