| Computational Pourbaix diagrams for MXenes: A key ingredient toward proper theoretical electrocatalytic studies M López, KS Exner, F Viñes, F Illas Advanced Theory and Simulations 6 (10), 2200217, 2023 | 21 | 2023 |
| Thermodynamics and kinetics of molecular hydrogen adsorption and dissociation on MXenes: relevance to heterogeneously catalyzed hydrogenation reactions M Lopez, A Morales-Garcia, F Vines, F Illas ACS Catalysis 11 (21), 12850-12857, 2021 | 19 | 2021 |
| Predicting the Effect of Dopants on CO2 Adsorption in Transition Metal Carbides: Case Study on TiC (001) M Lopez, F Vines, M Nolan, F Illas The Journal of Physical Chemistry C 124 (29), 15969-15976, 2020 | 11 | 2020 |
| Tuning transition metal carbide activity by surface metal alloying: a case study on CO 2 capture and activation M Lopez, L Broderick, JJ Carey, F Vines, M Nolan, F Illas Physical Chemistry Chemical Physics 20 (34), 22179-22186, 2018 | 11 | 2018 |
| Theoretical study of the mechanism of the hydrogen evolution reaction on the V2C MXene: Thermodynamic and kinetic aspects M López, KS Exner, F Viñes, F Illas Journal of Catalysis 421, 252-263, 2023 | 10 | 2023 |
| Understanding the effect of lattice polarisability on the electrochemical properties of lithium tetrahaloaluminates, LiAlX 4 (X= Cl, Br, I) N Flores-González, M López, N Minafra, J Bohnenberger, F Viñes, ... Journal of Materials Chemistry A 10 (25), 13467-13475, 2022 | 4 | 2022 |
