Aleix Comas-Vives
Universidad Autónoma de Barcelona
H-index: 38
Europe-Spain
Top articles of Aleix Comas-Vives
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Metadynamics simulations reveal alloying-dealloying processes for bimetallic PdGa nanoparticles under CO2 hydrogenation | Chemical Science | Julian F Baumgärtner Andreas Müller Scott R Docherty Aleix Comas-Vives Pierre-Adrien Payard | 2024 |
The Impact of Oxygen Surface Coverage and Carbidic Carbon on the Activity and Selectivity of Two-Dimensional Molybdenum Carbide (2D-Mo2C) in Fischer–Tropsch Synthesis | ACS Catalysis | Evgenia Kountoupi Alan J. Barrios Zixuan Chen Christoph R. Müller Vitaly V. Ordomsky | 2024/1/19 |
Theoretical study of the catalytic performance of Fe and Cu single-atom catalysts supported on Mo2C toward the reverse water–gas shift reaction | Frontiers in Chemistry | W. Zhang A. Vidal-López A. Comas-Vives | 2023/3/20 |
Cycloaddition of CO 2 to epoxides “around water”: a strategy to apply and recycle efficient water-soluble bio-based organocatalysts in biphasic media | Green Chemistry | Tharinee Theerathanagorn Anna Vidal-López Aleix Comas-Vives Albert Poater D Valerio | 2023 |
Highly dispersed Rh single atoms over graphitic carbon nitride as a robust catalyst for the hydroformylation reaction | Catalysis Science & Technology | Lole Jurado Jerome Esvan Ligia A Luque-Álvarez Luis F Bobadilla José A Odriozola | 2023 |
CO2 Activation dominating the Dry Reforming of Methane catalyzed by Rh(111) based on Multiscale Modelling | Catalysis Science & Technology | Estefanía Díaz-López Aleix Comas-Vives | 2023/11/15 |
Low oxygen surface coverage drives the activity of two-dimensional molybdenum carbide in the Fischer-Tropsch Synthesis (FTS) | The 28th North American Catalysis Society Meeting | Evgenia Kountoupi Alan Barrios Zixuan Chen Christoph Müller Vitaly Ordomsky | 2023/6/21 |
Kinetic Monte Carlo simulations of the Dry reforming of Methane catalyzed by the Ru (0001) Surface based on Density Functional Theory calculations | Catalysis Science and Technology | Estefanía Díaz López Aleix Comas-Vives | 2022/5/5 |
BCC-Cu Nanoparticles: From a Transient to a Stable Allotrope by Tuning Size and Reaction Conditions | Physical Chemistry Chemical Physics | Jan Alfke Andreas Müller Adam Hugh Clark Antonio Cervellino Milivoj Plodinec | 2022/9/22 |
Atomistic Simulations of Thermocatalytic Conversion of CO2 | Aleix Comas-Vives | 2022/4/20 | |
Si-Si Hydrogenolysis and CC Coupling Rationalized by Theory | Aleix Comas-Vives | 2022/9/8 | |
Reptes i Oportunitats en la Modelització de Catalitzadors Heterogenis | Aleix Comas-Vives | 2022/1/25 | |
Rethinking the Active Site Concept in Computational Heterogeneous Catalysis | Aleix Comas-Vives | 2022/9/1 | |
Ab Initio Molecular Dynamics | Kari Laasonen | 2013 | |
Modelling the Dynamics of Heterogeneous Catalysts: Challenges and Opportunities | Aleix Comas Vives | 2022/7/12 | |
Dynamic Modelling of Active Sites in Heterogeneous Catalysis | Aleix Comas-Vives | 2022/12/9 | |
Static vs. dynamic approach in computational heterogeneous catalysis: Revisiting the active site concept | Aleix Comas-Vives | 2022/6/22 | |
Ga and Zn increase the oxygen affinity of Cu-based catalysts for the COx hydrogenation according to ab initio atomistic thermodynamics | Chemical Science | Andreas Müller Aleix Comas-Vives Christophe Copéret | 2022/11/8 |
Engineering the Cu/Mo2CTx (MXene) interface to drive CO2 hydrogenation to methanol | Nature Catalysis | Hui Zhou Zixuan Chen Anna Vidal López Estefanía Díaz López Erwin Lam | 2021/10/20 |
Dynamics and Site Isolation: Keys to High Propane Dehydrogenation Performance of Silica-Supported PtGa Nanoparticles | JACS Au | P-A Payard L Rochlitz K Searles L Foppa B Leuthold | 2021/7/28 |
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