My work involves studying the formation of MoS2, a 2D material with applications in electronics and catalysis. I am using first-principles simulations to calculate the reaction mechanisms involved in forming MoS2, starting from the precursor molecule reactions in the gas phase to nucleation on the substrate. My other interest includes the transport modeling of chemical vapor deposition (CVD) reactors. This involves using computational methods to simulate the flow of reactants and reactions within the reactor and study the effects of temperature, pressure, and other growth conditions on the deposition of 2D material.
