Browsing by Author Illas i Riera, Francesc
Showing results 21 to 40 of 197
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| Issue Date | Title | Author(s) |
|---|---|---|
| 10-Jan-2018 | Assessing GW approaches for predicting core level binding energies | van Setten, Michiel J.; Costa Sala, Ramon; Viñes Solana, Francesc; Illas i Riera, Francesc |
| Jun-2017 | Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case | Pueyo Bellafont, Noèlia; Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 30-Sep-2019 | Assessing the usefulness of transition metal carbides for hydrogenation reactions | Prats Garcia, Hèctor; Piñero, Juan José; Viñes Solana, Francesc; Bromley, Stefan Thomas; Sayós Ortega, Ramón; Illas i Riera, Francesc |
| 7-Nov-2017 | Bandgap engineering by cationic disorder: case study on AgBiS2 | Viñes Solana, Francesc; Konstantatos, Gerasimos; Illas i Riera, Francesc |
| 22-Dec-2017 | Biogas upgrading by transition metal carbides | Kunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 13-Mar-2020 | Boosting the activity of transition metal carbides towards methane activation by nanostructuring | Figueras Valls, Marc; Gutiérrez, Ramón A.; Prats Garcia, Hèctor; Viñes Solana, Francesc; Ramírez, Pedro J.; Illas i Riera, Francesc; Rodríguez, José A. |
| 6-Sep-2014 | Bulk properties of transition metals: a challenge for the design of universal density functionals | Janthon, Patanachai; Luo, Sijie (Andy); Kozlov, Sergey; Viñes Solana, Francesc; Limtrakul, Jumras; Truhlar, Donald G.; Illas i Riera, Francesc |
| 3-Sep-2021 | Carbon Capture and Usage by MXenes | Morales-Salvador, Raul; Gouveia, José D.; Morales García, Ángel; Viñes Solana, Francesc; Gomes, José R.B.; Illas i Riera, Francesc |
| 21-Feb-2017 | Carbon dissolution and segregation in platinum | Janthon, Patanachai; Viñes Solana, Francesc; Sirijaraensre, Jakkapan; Limtrakul, Jumras; Illas i Riera, Francesc |
| 6-Apr-2022 | Challenges of modeling nanostructured materials for photocatalytic water splitting | Samanta, Bipasa; Morales García, Ángel; Illas i Riera, Francesc; Goga, Nicolae; Anta, Juan Antonio; Calero, Sofia; Beberle-Hütter, Anja; Libisch, Florian; Muñoz-García, Ana B.; Pavone, Michele; Caspary Toroker, Maytal |
| 4-Sep-2014 | Charge polarization at a Au-TiC interface and the generation of highly active and selective catalysts for the low-temperature water-gas shift reaction | Rodríguez, José A.; Ramírez, Pedro J.; Asara, Gian Giacomo; Viñes Solana, Francesc; Evans, Jaime; Liu, Ping; Ricart, Josep M.; Illas i Riera, Francesc |
| 15-Jul-2022 | Charting the Atomic C Interaction with Transition Metal Surfaces | Piqué, Oriol; Koleva, Iskra Z.; Bruix, Albert; Viñes Solana, Francesc; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Illas i Riera, Francesc |
| 1988 | Chemisorption of atomic aluminum on Si(111): Evidence for an adsorbate-induced relaxation based on ab initio cluster-model calculations | Rubio Martínez, Jaime; Illas i Riera, Francesc; Ricart, Josep M. |
| 1990 | Chemisorption of group-III metals on the Si(111) and Ge(111) surfaces: An ab initio study | Ricart, Josep M.; Rubio Martínez, Jaime; Illas i Riera, Francesc |
| 28-Feb-2018 | CO2 abatement using two-dimensional MXene carbides | Morales García, Ángel; Fernández Fernández, Adrián; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 24-Jun-2004 | Combining molecular dynamics and ab initio quantum-chemistry to describe electron transfer reactions in electrochemical environments | Domínguez-Ariza, David; Hartnig, Christoph; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 15-Jan-2018 | Combining theory and experiment for multitechnique characterization of activated CO2 on transition metal carbide (001) surfaces | Kunkel, Christian; Viñes Solana, Francesc; Ramírez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc |
| Oct-2016 | Comparing the catalytic activity of the water gas shift reaction on Cu(321) and Cu(111) surfaces: step sites do not always enhance the overall reactivity | Prats Garcia, Hèctor; Gamallo Belmonte, Pablo; Illas i Riera, Francesc; Sayós Ortega, Ramón |
| 4-Sep-2020 | Computational Modelling of TiO2 and Mg-silicate nanoclusters and nanoparticles - Crystallinity and Astrophysical Implications | Macià Escatllar, Antoni |
| 1-Jul-2022 | Computational Pourbaix Diagrams for MXenes: A Key Ingredient toward Proper Theoretical Electrocatalytic Studies | López, Martí; Exner, Kai S.; Viñes Solana, Francesc; Illas i Riera, Francesc |