Browsing by Author Calle Vallejo, Federico
Showing results 1 to 8 of 8
Issue Date | Title | Author(s) |
26-May-2020 | A Semiempirical Method to Detect and Correct DFT-Based Gas-Phase Errors and Its Application in Electrocatalysis | Granda Marulanda, Laura P.; Rendón Calle, Alejandra; Builes, Santiago; Illas i Riera, Francesc; Koper, Marc T. M.; Calle Vallejo, Federico |
Jun-2021 | CO Electro-oxidation using near-surface alloys of platinum and transition metals | Brito Ravicini, Alvaro |
3-May-2022 | Computational Analyses of CO2 Electroreduction and C Interactions with Transition Metals | Piqué Caufapé, Oriol |
2021 | Computational-experimental study of the onset potentials for CO2 reduction on polycrystalline and oxide-derived copper electrodes | Piqué, Oriol; Löffler, Mario; Katsounaros, Ioannis; Calle Vallejo, Federico |
13-May-2022 | Gas-Phase Errors Affect DFT-Based Electrocatalysis Models of Oxygen Reduction to Hydrogen Peroxide | Almeida, Michell O.; Kolb, Manuel J.; Lanza, Marcos R. V; Illas i Riera, Francesc; Calle Vallejo, Federico |
1-Sep-2021 | Importance of the gas-phase error correction for O2 when using DFT to model the oxygen reduction and evolution reactions | Sargeant, Elizabeth; Illas i Riera, Francesc; Rodríguez, Paramaconi; Calle Vallejo, Federico |
Jun-2022 | Pt alloys with transition metals for hydrogen evolution | Ferrer Sarget, Lluís |
Jun-2022 | Structure-sensitive hydrogenation of NO using metal electrocatalysts | Lezana Muralles, Maria Fernanda |