Boron adatom adsorption on graphene: A case study in computational chemistry methods for surface interaction

Recommended citation: Rau, Aaditya, Jubin, Sierra, Vella, Joseph R., Kaganovich, Igor D. (2022). "Simulations of Graphite Boronization: A Molecular Dynamics Study of Amorphization Resulting from Bombardment." Frontiers in Physics. 10(933494).
Download Paper