Browsing by Author Illas i Riera, Francesc
Showing results 165 to 184 of 199
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| Issue Date | Title | Author(s) |
|---|---|---|
| 13-Nov-2001 | The adsorption of nitromethane on the Au(111) surface | Gomes, José R. B.; Illas i Riera, Francesc |
| 9-Jun-2014 | The Bending Machine: CO2 Activation and Hydrogenation on d-MoC(001) and b-Mo2C(001) Surfaces. | Posada Pérez, Sergio; Viñes Solana, Francesc; Ramírez, Pedro J.; Vidal, Alba B.; Rodríguez, José A.; Illas i Riera, Francesc |
| 17-Jun-2016 | The contact of graphene with Ni(111) surface: description by modern dispersive forces approaches | Muñoz-Galán, Helena; Viñes Solana, Francesc; Gebhardt, Julian; Görling, Andreas; Illas i Riera, Francesc |
| 1-Feb-2016 | The conversion of CO2 to methanol on orthorhombic β-Mo2C and Cu/β-Mo2C catalysts: mechanism for admetal induced change in the selectivity and activity | Posada Pérez, Sergio; Ramírez, Pedro J.; Gutiérrez, Ramón A.; Stacchiola, Dario J.; Viñes Solana, Francesc; Liu, Ping; Illas i Riera, Francesc; Rodríguez, José A. |
| 11-Feb-2011 | The fate of optical excitations in small polyhedral ZnS clusters: a theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6 | Zwijnenburg, M. A.; Sousa Romero, Carmen; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 14-Feb-2023 | Theoretical Analysis of Magnetic Coupling in the Ti2C Bare MXene | García-Romeral, Néstor; Morales-García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 1990 | Theoretical analysis of the bonding of oxygen to Cu(100) | Bagus, Paul S.; Illas i Riera, Francesc |
| 16-Jul-2018 | Theoretical modeling of electronic excitations of gas-phase and solvated TiO2 nanoclusters and nanoparticles of interest in photocatalysis | Valero Montero, Rosendo; Morales García, Ángel; Illas i Riera, Francesc |
| 17-Feb-2014 | Theoretical modeling of heterogeneous catalysts based on platinum and cerium oxide | Bruix Fusté, Albert |
| 2004 | Theoretical modeling of photon and electron-stimulated Na and K desorption from SiO2 | Domínguez-Ariza, David; López, Núria (López Alonso); Illas i Riera, Francesc; Pacchioni, Gianfranco; Madey, Theodore E. |
| 2004 | Theoretical study of bulk and surface oxygen and aluminium vacancies in (alpha)-Al2O3 | Carrasco Rodríguez, Javier; Gomes, José R. B.; Illas i Riera, Francesc |
| 1-Dec-2021 | Thermodynamics and Kinetics of Molecular Hydrogen Adsorption and Dissociation on MXenes: Relevance to Heterogeneously Catalyzed Hydrogenation Reactions | López, Martí; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 7-Nov-2019 | Thickness biased capture of CO2 on carbide MXenes | Morales García, Ángel; Mayans-Llorach, Marc; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 2023 | Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic Models | Morales García, Ángel; Viñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 1993 | Towards and ab initio description of magnetism in ionic solids | Illas i Riera, Francesc; Casanovas Salas, Jordi; García Bach, Ma. de los Ángeles; Caballol Lorenzo, Rosa; Castell, O. |
| 13-Feb-2020 | Towards understanding the role of carbon atoms on transition metal surfaces: implications for catalysis | Martínez, Biel; Piqué, Oriol; Prats Garcia, Hèctor; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 24-Aug-2015 | Transition metal adatoms on graphene: A systematic density functional study | Manadé, Montserrat; Viñes Solana, Francesc; Illas i Riera, Francesc |
| Jan-2016 | Transition Metal Carbides as Novel Materials for CO2 Capture, Storage, and Activation | Kunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 3-Mar-2023 | Tuning the composition and dimensionality of transition metal carbides as possible catalysts for green chemistry related reactions | López Berbel, Martí |
| 8-Aug-2018 | Tuning transition metal carbide activity by surface metal alloying: a case study on CO2 capture and activation | López Berbel, Martí; Broderick, Luke; Carey, John J.; Viñes Solana, Francesc; Nolan, Michael; Illas i Riera, Francesc |