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2. Song, Y. Y.; Wang, G. C.; Zhao, Z.*, et al., Selective Oxidation of Propylene on Cu2O(111) and Cu2O(110) Surfaces: A Systematically DFT Study, ACS Omega., 2020, 5, 6260-6269.

3. Song, Y. Y.; Wang, G. C.*, Theoretical Study of Propylene Epoxidation over Cu2O(111) Surface: Activity of O2-, O-, and O2- Species, The Journal of Physical Chemistry C, 2018, 122, 21500-21513.

4. Song, Y. Y.; Wang, G. C.*, A DFT Study and Micro-Kinetic Simulation of Propylene Partial Oxidation on CuO(111) and CuO(100) Surfaces, The Journal of Physical Chemistry C, 2016, 120, 27430-27442.

5. Li, M. R.; Song, Y. Y.; Wang, G. C.*, The Mechanism of Steam-Ethanol Reforming on Co13/CeO2−x: A DFT Study, ACS Cataysis, 2019, 9, 2355-2367.