Structural and electronic properties of defective 2D transition metal dichalcogenide heterostructures. - Adriana Pecoraro; Eduardo Schiavo; Pasqualino Maddalena; Ana Belén Muñoz-García; Michele Pavone (J. Comput. Chem., 2020)

Effective prediction of SnO2 conduction band edge potential: The key role of surface oxygen vacancies. - Gennaro Vincenzo Sannino; Adriana Pecoraro; Paola Delli Veneri; Michele Pavone; Ana Belén Muñoz-García (J. Comput. Chem., 2024)