Browsing by Author Prats Garcia, Hèctor
Showing results 1 to 18 of 18
| Issue Date | Title | Author(s) |
|---|---|---|
| 30-Sep-2019 | Assessing the usefulness of transition metal carbides for hydrogenation reactions | Prats Garcia, Hèctor; Piñero Vargas, Juan José; Viñes Solana, Francesc; Bromley, Stefan Thomas; Sayós Ortega, Ramón; 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. |
| 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 |
| Jun-2019 | Computational evaluation of Ni-MOF-74 for the industrial separation of CO2 | Dupuy Pol, Catalina |
| 15-Sep-2017 | Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption | Prats Garcia, Hèctor; Bahamón García, Daniel; Giménez i Font, Xavier; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 31-Jan-2020 | Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts | Pajares, Arturo; Prats Garcia, Hèctor; Romero, Alexandre; Viñes Solana, Francesc; Ramírez de la Piscina, Pilar; Sayós Ortega, Ramón; Homs Martí, Narcís; Illas i Riera, Francesc |
| 5-May-2018 | General concepts, assumptions, drawbacks, and misuses in kinetic Monte Carlo and microkinetic modeling simulations applied to computational heterogeneous catalysis | Prats Garcia, Hèctor; Illas i Riera, Francesc; Sayós Ortega, Ramón |
| 6-Dec-2016 | Kinetic Monte Carlo simulation of the water gas shift reaction on Cu(111) from density functional theory based calculations | Prats Garcia, Hèctor; Álvarez Falcón, Leny; Illas i Riera, Francesc; Sayós Ortega, Ramón |
| 25-Mar-2019 | Monte Carlo based methods applied to heterogeneous catalysis and gas separation | Prats Garcia, Hèctor |
| 2016 | Nous mètodes de captura i separació de CO2 aplicables a processos industrials | Alonso Benito, Gerard; Prats Garcia, Hèctor; Bahamón García, Daniel; Keshavarz, Fatemeh; Gamallo Belmonte, Pablo; Giménez i Font, Xavier; Sayós Ortega, Ramón |
| 16-Mar-2014 | ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surface | Gamallo Belmonte, Pablo; Prats Garcia, Hèctor; Sayós Ortega, Ramón |
| 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 Vargas, Juan José; Viñes Solana, Francesc; Bromley, Stefan Thomas; Ramírez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc |
| 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 |
| 9-Aug-2020 | Transition metal atoms encapsulated within microporous Silicalite-1 zeolite: A systematic computational study | Prats Garcia, Hèctor; Alonso Benito, Gerard; Sayós Ortega, Ramón; Gamallo Belmonte, Pablo |
| 3-Jun-2020 | Ultra-highly selective biogas upgrading through porous MXenes | Prats Garcia, Hèctor; McAloone, Hannah; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 15-Dec-2015 | Unexpectedly large impact of van der Waals interactions on the description of heterogeneous catalyzed reactions: the water gas shift reaction on Cu(321) as a case example | Prats Garcia, Hèctor; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Illas i Riera, Francesc |
| 1-May-2017 | y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes | Prats Garcia, Hèctor; Bahamón García, Daniel; Alonso, Gerard; Giménez i Font, Xavier; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón |
| 29-Oct-2021 | Zeolite-encapsulated single-atom catalysts for efficient CO2 conversion | Alonso, Gerard; López Marne, Estefanía; Huarte Larrañaga, Fermín; Sayós Ortega, Ramón; Prats Garcia, Hèctor; Gamallo Belmonte, Pablo |