Background and activities
My research focuses on the study of reaction mechanism of Fischer- Tropsch synthesis by DFT calculations.
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
- (2017) Potassium adsorption behavior on hcp cobalt as model systems for the Fischer–Tropsch synthesis: a density functional theory study. Physical Chemistry, Chemical Physics - PCCP. vol. 19 (19).
- (2017) Adsorption energy-driven carbon number-dependent olefin to paraffin ratio in cobalt-catalyzed Fischer-Tropsch synthesis. Journal of Catalysis. vol. 349.
- (2015) Insights into Hägg Iron-Carbide-Catalyzed Fischer–Tropsch Synthesis: Suppression of CH4 Formation and Enhancement of C-C Coupling on X-Fe5C2 (510). ACS Catalysis. vol. 5 (4).
- (2015) Recent Progresses in Understanding of Co-Based Fischer–Tropsch Catalysis by Means of Transient Kinetic Studies and Theoretical Analysis. Catalysis Letters. vol. 145 (1).
- (2014) Discrimination of the mechanism of CH4 formation in Fischer-Tropsch synthesis on Co catalysts: a combined approach of DFT, kinetic isotope effects and kinetic analysis. Catalysis science & technology. vol. 4 (10).
- (2013) Reaction mechanism of CO activation and methane formation on Co Fischer-Tropsch catalyst: A combined DFT, transient, and steady-state kinetic modeling. Journal of Catalysis. vol. 308.
- (2016) Mechanistic Insights into Cobalt-based Fischer-Tropsch Synthesis. 2016.