Listar Investigación y Desarrollo por autor "Arratia-Perez, Ramiro"
Mostrando ítems 1-2 de 2
-
Article
Exploring the catalytic potential of AuxPt4-x clusters on TiC and ZrC (001) surfaces for hydrogen dissociation (2024)
Gomez, Tatiana; Calatayud, Monica; Arratia-Perez, Ramiro; Muñoz, Francisco; Cárdenas, Carlos (Elsevier B.V., 2024)The adsorption and dissociation of hydrogen on bimetallic clusters of AuxPt4-x supported on TiC (0 0 1) and ZrC (0 0 1) surfaces, has been studied using periodic boundary density functional theory (DFT). Simulations reveal ... -
Article
Quantum-mechanical study of a MO2(cyclam)+ complexes series with M = Mn, Tc, Re (2024)
Schott, Eduardo; Treto-Suárez, Manuel A.; Zarate, Ximena; Arratia-Perez, Ramiro (Elsevier B.V., 2024)This work focuses on the theoretical study of nd2 pentavalent group 7 metal ions (Mn, Tc, Re) electronic structures complexed with cyclam (MO2(cyclam)+) via DFT due to their fascinating photochemical and electrochemical ...