Modeling and simulations of porous inorganic nanotubes functionalization
Interfaces - functionalized graphenes and organic pollutans: theoretical-experimen...
Application of theoretical methods to understand catalytic trends in oxygen reduct...
Heterogeneous nanocatalysis: computational simulation of supported nanoparticles
Quantum modeling combined with experiments to unravel the influence of interface d...
Computational new 2D materials modeling and van der Waals heterostructures in femt...
Structural and electronic properties of molecular and bi-dimensional systems