Thesis: Computational Modeling of the 2D Materials synthesis by Chemical vapor deposition

Our group works on various materials, including graphene, MoS2, Black phosphorus and other hybrid materials for electronics applications. Our goal is to synthesize phosphorene by CVD methods. The computational modeling will predict and design multi-functional materials for applications related to electronics.

This project aims to understand, by theoretical approaches, the mechanisms of 2D materials synthesis, which possess qualities that make them desirable for electronic applications. It is important to note that the findings obtained from this theoretical investigation will be used to design the experimental approach. This work provides an opportunity to tackle the challenges in 2D Materials synthesis using a multidisciplinary approach, inspired by results obtained by computational means.

The candidate will be expected to participate in the research described above. He/She should hold a Master degree or equivalent in condensed matter physics, computational physics or mathematical physics. Experience in molecular modeling software (e.g., CP2K, VASP, Gaussian, LAMMPS) and programming skills (e.g., Python, Matlab, c++, fortran) is preferred.

Ph.D. Supervisor: A El Fatimy (UM6P)

Co-PhD Supervisor: A Belhboub (ECC)