Former PhD Student
My research mainly focus on multi-scale simulation of the catalytic reaction, e.g. at microscopic, molecular or even electronic scales. The modelling techniques I am using are mainly Density Functional Theory (DFT), Kinetic Monte Carlo (KMC) and Finite Element Analysis (FEA). I have extensive research experience in these catalytic processes:, carbon nanotube (CNT)/graphene growth, syngas/hydrogen production, oxygen reduction reaction (ORR) in electrochemical reaction. The respective publications of this project is available in here.
Thesis: Theoretical Investigation of Catalytic Methane Cracking and Carbon Nanotube Growth