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Issue DateTitleAuthor(s)
18-Jun-2022Effect of nanostructuring on the interaction of CO2 with molybdenum carbide nanoparticlesJiménez-Orozco, Carlos; Figueras, Marc; Flórez, Elizabeth; Viñes Solana, Francesc; Rodriguez, José A.; Illas i Riera, Francesc
18-Jan-2018Matildite Contact with Media: First-Principles Study of AgBiS2 Surfaces and Nanoparticle MorphologyViñes Solana, Francesc; Konstantatos, Gerasimos; Illas i Riera, Francesc
14-Feb-2023Theoretical Analysis of Magnetic Coupling in the Ti2C Bare MXeneGarcía-Romeral, Néstor; Morales-García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
20-Jan-2022Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxidesMazheika, Aliaksei; Wang, Yang-Gang; Valero Montero, Rosendo; Viñes Solana, Francesc; Illas i Riera, Francesc; Ghiringelli, Luca M.; Levchenko, Sergey V.; Scheffler, Matthias
5-Jul-2023How does thickness affect magnetic coupling in Ti-based MXenesGarcía-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
15-Jul-2022Charting the Atomic C Interaction with Transition Metal SurfacesPiqué, Oriol; Koleva, Iskra Z.; Bruix, Albert; Viñes Solana, Francesc; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Illas i Riera, Francesc
1-Feb-2016The conversion of CO2 to methanol on orthorhombic β-Mo2C and Cu/β-Mo2C catalysts: mechanism for admetal induced change in the selectivity and activityPosada Pérez, Sergio; Ramírez, Pedro J.; Gutiérrez, Ramón A.; Stacchiola, Dario J.; Viñes Solana, Francesc; Liu, Ping; Illas i Riera, Francesc; Rodríguez, José A.