Browsing by Author Illas i Riera, Francesc
Showing results 147 to 166 of 197
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| Issue Date | Title | Author(s) |
|---|---|---|
| 25-Jul-2017 | Reduction of Hydrogenated ZrO2 Nanoparticles by Water Desorption | Ruiz Puigdollers, Antonio; Illas i Riera, Francesc; Pacchioni, Gianfranco |
| 25-Jun-2018 | Reliable and computationally affordable prediction of the energy gap of (TiO2)(n) (10 <= n <= 563) nanoparticles from density functional theory | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 2002 | Rigorous characterization of oxygen vacancies in ionic oxides | Mori-Sánchez, P.; Recio, J. M.; Silvi, B.; Sousa Romero, Carmen; Martín Pendás, A.; Luaña, Víctor; Illas i Riera, Francesc |
| 20-Jun-2018 | Robustness of surface activity electronic structure-based descriptors of transition metals | Vega Dominguez, Lorena; Martínez, Biel; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 2003 | The role of dynamical polarization of the ligand-to-metal charge transfer excitations in the ab initio determination of effective exchange parameters | Gellé, Alain; Munzarová, Markéta L.; Lepetit, Marie-Bernadette; Illas i Riera, Francesc |
| 2-Oct-2023 | Role of N Doping in the Reduction of Titania Nanostructures | Remesal, Elena R.; Morales García, Ángel; Illas i Riera, Francesc |
| 3-Apr-2019 | Room temperature methane capture and activation by Ni clusters supported on TiC(001): effects of metal-carbide interactions on the cleavage of the C-H bond | Prats Garcia, Hèctor; Gutiérrez, Ramón A.; Piñero, Juan José; Viñes Solana, Francesc; Bromley, Stefan Thomas; Ramírez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc |
| 1-Mar-2017 | Selectivity for CO2 over CH4 on a functionalized periodic mesoporous phenylene-silica explained by transition state theory | Kunkel, Christian; Viñes Solana, Francesc; Lourenco, Mirtha A. O.; Ferreira, Paula; Gomes, José R. B.; Illas i Riera, Francesc |
| 3-Aug-2016 | Single oxygen vacancies of (TiO2)35 as a prototype of reduced nanoparticle: implication for photocatalytic activity | Kim, Sunkyung; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc |
| 28-Jul-2017 | Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk | Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 3-Dec-2022 | Structural and Electronic Properties of Metal/Oxide Nanostructures from First-Principles: Ru13 Supported on (TiO2)84 as a Case Study | Allès, Miquel; Remesal, Elena R.; Illas i Riera, Francesc; Morales García, Ángel |
| 29-Jun-2017 | Substrate-mediated single-atom isolation: dispersion of Ni and La on gamma-graphyne | Kim, Sunkyung; Gamallo Belmonte, Pablo; Viñes Solana, Francesc; Lee, Jin Yong; Illas i Riera, Francesc |
| 4-Feb-2019 | Subsurface carbon: a general feature of noble metals | Piqué, Oriol; Koleva, Iskra Z.; Viñes Solana, Francesc; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Illas i Riera, Francesc |
| 6-Aug-2021 | Supported Molybdenum Carbide Nanoparticles as an Excellent Catalyst for CO2 Hydrogenation | Figueras, Marc; Gutiérrez, Ramon A.; Viñes Solana, Francesc; Ramirez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc |
| 14-Feb-2019 | Surface activity of early transition-metal oxycarbides: CO2 adsorption case study | Kunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 1-Mar-2017 | Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides | Viñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc |
| 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. |