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Towards a feasible and stable thermocatalytic conversion of CO₂ to methanol and E-fuels


    Problem Statement

    Unarguably, CO₂ is a crucial concern affecting climate change. To cope with or solve the issue, viable valorization strategies are required to efficiently use CO₂, allowing for a circular economy. We aim to convert CO₂ into CO, methane, methanol, dimethyl ether, or E-fuels.

    Our activities in CO2 conversion are related to (i) analyzing the stability of industrially relevant catalysts under realistic conditions and (ii) developing new catalytic materials based on Cu. In (i), we are developing reactors that augment the kinetic information: (a) in situ and operando spectroscopic reactors that work under (close to) working conditions to study structure-performance relationships, (b) periodic reactors with transient or variable conditions over time or space. In (ii), we work mainly with novel materials such as metal-organic frameworks (MOFs).

    We guide the design of these catalysts based on stability and using density functional theory (DFT) and microkinetic modeling.

      CO2

      Goals

      • Develop advanced structure-function-deactivation relationships of industrially relevant catalysts
      • Analyze the effect of “activity modifiers,” such as sulfur species, aromatics, chlorine, etc., on the catalyst structure and performance
      • Improve the catalyst structure-function correlations using in-situ, operando, and dynamic techniques and reactors
      • Synthesize new catalytic materials with enhanced stability and selectivity
      • Develop a microkinetic-based modeling framework to analyze the catalyst performance

      Related People

      Juan David Trueba
      Pia Dally

      Related Publications

      Post-Synthetic Surface Modification of Metal–Organic Frameworks and Their Potential Applications

      by Figueroa-Quintero, Villalgordo-Hernández, Delgado-Marín, Narciso, Velisoju, Castaño, Gascon, Ramos-Fernandez
      Small Methods Year: 2023 DOI: https://doi.org/10.1002/smtd.202201413

      Abstract

      Metal–organic frameworks (MOFs) are porous hybrid materials with countless potential applications. Most of these rely on their porous structure, tunable composition, and the possibility of incorporating and expanding their functions. Although functionalization of the inner surface of MOF crystals has received considerable attention in recent years, methods to functionalize selectively the outer crystal surface of MOFs are developed to a lesser extent, despite their importance. This article summarizes different types of post-synthetic modifications and possible applications of modified materials such as: catalysis, adsorption, drug delivery, mixed matrix membranes, and stabilization of porous liquids.

      Keywords

      OLG CO2 CHA HCE