Keywords:
Density Functional Theory
Computational Material Science
Tribology
Lubricant additives
Atomistic and Multi-scale simulations
The main research topics include the investigation of innovative two-dimensional (2D) materials for solid lubrication and lubricant additives, primarily using density functional theory (DFT) techniques. Specifically, the research focuses on the interaction of these materials with environmental species (i.e., H2O and O2), their behavior at interfaces and on substrates under tribological conditions, the mechanisms of tribochemical reactions, and their stability against oxidation.
