| The bending machine: CO 2 activation and hydrogenation on δ-MoC (001) and β-Mo 2 C (001) surfaces S Posada-Pérez, F Vines, PJ Ramirez, AB Vidal, JA Rodriguez, F Illas Physical Chemistry Chemical Physics 16 (28), 14912-14921, 2014 | 209 | 2014 |
| Highly Active Au/δ-MoC and Cu/δ-MoC Catalysts for the Conversion of CO2: The Metal/C Ratio as a Key Factor Defining Activity, Selectivity, and Stability S Posada-Perez, PJ Ramírez, J Evans, F Viñes, P Liu, F Illas, ... Journal of the American Chemical Society 138 (26), 8269-8278, 2016 | 165 | 2016 |
| The conversion of CO 2 to methanol on orthorhombic β-Mo 2 C and Cu/β-Mo 2 C catalysts: mechanism for admetal induced change in the selectivity and activity S Posada-Pérez, PJ Ramírez, RA Gutiérrez, DJ Stacchiola, F Viñes, P Liu, ... Catalysis Science & Technology 6 (18), 6766-6777, 2016 | 117 | 2016 |
| Fundamentals of methanol synthesis on metal carbide based catalysts: activation of CO2 and H2 S Posada-Perez, F Vines, JA Rodriguez, F Illas Topics in Catalysis 58 (2), 159-173, 2015 | 69 | 2015 |
| Extending the low-temperature operation of sodium metal batteries combining linear and cyclic ether-based electrolyte solutions C Wang, AC Thenuwara, J Luo, PP Shetty, MT McDowell, H Zhu, ... Nature Communications 13 (1), 1-11, 2022 | 63 | 2022 |
| Adsorption and dissociation of molecular hydrogen on orthorhombic β-Mo2C and cubic δ-MoC (001) surfaces S Posada-Pérez, F Viñes, R Valero, JA Rodriguez, F Illas Surface Science 656, 24-32, 2017 | 58 | 2017 |
| Highly active Au/δ-MoC and Au/β-Mo 2 C catalysts for the low-temperature water gas shift reaction: effects of the carbide metal/carbon ratio on the catalyst performance S Posada-Pérez, RA Gutiérrez, Z Zuo, PJ Ramírez, F Viñes, P Liu, F Illas, ... Catalysis Science & Technology 7 (22), 5332-5342, 2017 | 43 | 2017 |
| Enhancing the Catalytic Performance of Group I, II Metal Halides in the Cycloaddition of CO2 to Epoxides under Atmospheric Conditions by Cooperation with … W Natongchai, S Posada-Pérez, C Phungpanya, JA Luque-Urrutia, ... The Journal of Organic Chemistry 87 (5), 2873-2886, 2022 | 34 | 2022 |
| Kinetic Monte Carlo Simulations Unveil Synergic Effects at Work on Bifunctional Catalysts H Prats, S Posada-Pérez, JA Rodriguez, R Sayós, F Illas ACS Catalysis 9 (10), 9117-9126, 2019 | 34 | 2019 |
| Structure and electronic properties of Cu nanoclusters supported on Mo2C(001) and MoC(001) surfaces S Posada-Pérez, F Viñes, JA Rodríguez, F Illas The Journal of Chemical Physics 143 (11), 114704, 2015 | 27 | 2015 |
| Exploring cocatalyst type effect on the Ziegler–Natta catalyzed ethylene polymerizations: experimental and DFT studies M Masoori, M Nekoomanesh, S Posada-Pérez, R Rashedi, N Bahri-Laleh Journal of Polymer Research 29 (5), 1-11, 2022 | 22 | 2022 |
| CO 2 interaction with violarite (FeNi 2 S 4) surfaces: a dispersion-corrected DFT study S Posada-Pérez, D Santos-Carballal, U Terranova, A Roldan, F Illas, ... Physical Chemistry Chemical Physics 20 (31), 20439-20446, 2018 | 22 | 2018 |
| Methane capture at room temperature: adsorption on cubic δ-MoC and orthorhombic β-Mo 2 C molybdenum carbide (001) surfaces S Posada-Pérez, JR dos Santos Politi, F Vines, F Illas RSC Advances 5 (43), 33737-33746, 2015 | 21 | 2015 |
| Selective absorption of H2S and CO2 by azole based protic ionic liquids: A combined density functional theory and molecular dynamics study AR Shaikh, S Posada-Pérez, A Brotons-Rufes, JJ Pajski, G Kumar, ... Journal of Molecular Liquids 367, 120558, 2022 | 20 | 2022 |
| The importance of the bite angle of metal (III) salen catalysts in the sequestration of CO2 with epoxides in mild conditions A Vidal-López, S Posada-Pérez, M Solà, V D'Elia, A Poater Green Chemical Engineering 3 (2), 180-187, 2022 | 20 | 2022 |
| Influence of Stacking on H+ Intercalation in Layered ACoO2 (A = Li, Na) Cathode Materials and Implications for Aqueous Li-Ion Batteries: A First-Principles … S Posada-Pérez, GM Rignanese, G Hautier Chemistry of Materials 33 (17), 6942-6954, 2021 | 17 | 2021 |
| A systematic study on the effect of co-catalysts composition on the performance of Ziegler-Natta catalyst in ethylene/1-butene co-polymerizations M Masoori, M Nekoomanesh, S Posada-Pérez, R Rashedi, N Bahri-Laleh Polymer 261, 125423, 2022 | 12 | 2022 |
| 2D carbon nitride as a support with single Cu, Ag, and Au atoms for carbon dioxide reduction reaction S Posada-Pérez, A Vidal-López, M Solà, A Poater Physical Chemistry Chemical Physics 25 (12), 8574-8582, 2023 | 11 | 2023 |
| Carbon Dioxide Conversion on Supported Metal Nanoparticles: A Brief Review S Posada-Pérez, M Solà, A Poater Catalysts 13 (2), 305, 2023 | 10 | 2023 |
| Effect of Aqueous Electrolytes on LiCoO2 Surfaces: Role of Proton Adsorption on Oxygen Vacancy Formation S Posada-Pérez, G Hautier, GM Rignanese The Journal of Physical Chemistry C 126 (1), 110-119, 2021 | 9 | 2021 |
