Periodic Reporting for period 1 - CATCHY (Design, implementation and production upscaling of novel, high-performance, cluster-based catalysts for CO2 hydrogenation)
Periodo di rendicontazione: 2020-11-01 al 2022-10-31
Capturing CO2 directly from the atmosphere, or more practically as it is produced from coal- or gas-burning power plants, and then converting it into useful fuels and chemicals is the most credible route to securing our future until we stop releasing so much CO2 into the atmosphere. The conversion of CO2 (hydrogenation) into methanol and C2 products (ethanol, ethylene, etc.), convenient chemical intermediates for a host of products, offers us a tremendous opportunity to limit the problems we face. However, the high stability of the CO2 molecule requires breakthroughs in the performance of current thermo- and electrocatalysts for CO2 conversion that we will address jointly in a single project expecting important synergies.
CATCHY will create new, high-performance cluster-based catalysts for the conversion of atmospheric CO2 into added-value synthetic materials with a catalysis-by-design approach based on advances in our atomic-scale understanding, analytical and in situ/in operando tools, and computational methods, while delivering a training programme that will give 14 early-stage researchers the expertise and skills required by employers in the European nanotechnology sector. The training programme is industry oriented, covering catalysis applications that relate directly to energy and climate-change problems. It is innovative, interdisciplinary and intersectorial, involving 10 Beneficiaries and 2 Partner Organisations. CATCHY will offer an interactive training approach that will cover the whole value chain, from the fabrication and characterization of cluster-based nanostructured surfaces, including non-deposited or free cluster and theoretical modelling developments, to the realization of innovative applications. CATCHY will contribute to Europe holding a competitive advantage for catalysis research in industry and academia.
CATCHY will create new, high-performance cluster-based catalysts for the conversion of atmospheric CO2 into added-value synthetic materials with a catalysis-by-design approach based on advances in our atomic-scale understanding, analytical and in situ/in operando tools, and computational methods, while delivering a training programme that will give 14 early-stage researchers the expertise and skills required by employers in the European nanotechnology sector. The training programme is industry oriented, covering catalysis applications that relate directly to energy and climate-change problems. It is innovative, interdisciplinary and intersectorial, involving 10 Beneficiaries and 2 Partner Organisations. CATCHY will offer an interactive training approach that will cover the whole value chain, from the fabrication and characterization of cluster-based nanostructured surfaces, including non-deposited or free cluster and theoretical modelling developments, to the realization of innovative applications. CATCHY will contribute to Europe holding a competitive advantage for catalysis research in industry and academia.
Catchy is now routinely producing series of novel catalysts based on mono- and bimetallic gas phase clusters of controlled size and composition deposited on carbon (glassy and paper) for CO2 electroreduction (electrocatalysis-EC) as well as on oxide powders for CO2 hydrogenation (thermocatalysis-TC) applications. Deposited clusters on adequate supports are characterized ex situ with a combination of SEM, TEM, XPS and XAFS before and after catalytic reaction.
Promising significant catalytic conversion of CO2 into CO and methanol has been already recorded at high-pressure under gas flow for TCs based on clusters deposited on powders while CO2 conversion in CO and ethylene has been reported or clusters on carbon electrodes under electro catalytic conditions.
Operando XAFS and TEM will be carried out in the coming months under gas flow and electrochemical conditions using a set of new in situ cells designed within the Catchy network. Two new grazing incidence XAFS cells for operando ECs and TCs investigations as well as a new MEMs reactor for operando TEM of ECs have been successfully developed.
First ab initio theoretical modelling of the CO2 reaction path on isolated small clusters relevant in Catchy have been obtained using molecular dynamics highlighting a strong cluster-shape fluxionality as well as a clear carbon-dioxide and H2 activation by small metal clusters. Theoretical modeling will be tested by studying the reactivity of a series of free gas phase metal oxide cluster using a new dual-target dual-laser ablation source that is now able to produce cationic and anionic bimetallic few-atom oxide clusters to study the possible activation of CO2
Finally a promising CO2 electro-conversion was obtained with a new gas diffusion electrode designed specifically for industrial applications based on deposited clusters.
Promising significant catalytic conversion of CO2 into CO and methanol has been already recorded at high-pressure under gas flow for TCs based on clusters deposited on powders while CO2 conversion in CO and ethylene has been reported or clusters on carbon electrodes under electro catalytic conditions.
Operando XAFS and TEM will be carried out in the coming months under gas flow and electrochemical conditions using a set of new in situ cells designed within the Catchy network. Two new grazing incidence XAFS cells for operando ECs and TCs investigations as well as a new MEMs reactor for operando TEM of ECs have been successfully developed.
First ab initio theoretical modelling of the CO2 reaction path on isolated small clusters relevant in Catchy have been obtained using molecular dynamics highlighting a strong cluster-shape fluxionality as well as a clear carbon-dioxide and H2 activation by small metal clusters. Theoretical modeling will be tested by studying the reactivity of a series of free gas phase metal oxide cluster using a new dual-target dual-laser ablation source that is now able to produce cationic and anionic bimetallic few-atom oxide clusters to study the possible activation of CO2
Finally a promising CO2 electro-conversion was obtained with a new gas diffusion electrode designed specifically for industrial applications based on deposited clusters.
Global warming of the planet is a major issue for humanity that is becoming increasingly urgent to tackle. CO2 conversion, the core of the CATCHY project, is expected to radically change the demand for catalysts with respect to storing electric energy and replacing the feedstocks for fuels and chemical products. Identifying the best catalysts and process-related opportunities, accelerating the R&D that improves energy efficiency, and facilitating R&D on game changers to lower the barriers and the operating costs, are important steps that must be taken at the European level in the next 10 years.
Catchy's approach to use cluster beam deposition technology for fabricating (electro)catalysts based on ligand-free bimetallic clusters with controllable small sizes and compositions is expected to bring clear benefits over conventional wet chemistry or colloidal preparation methods.
The well-defined nature and the large variety of multi-metallic combination clusters is expected not only to produce new TC and ECs with enhanced activity, but also facilitating a more fundamental understanding of their structural and catalytic properties including synergetic effects tailored by the cluster composition.
Catchy fellows will have the opportunity to take up secondments at a large number of partners including industries and build up a broad scientific and technological knowledge in the strategic field of designing novel high performance thermo- and electro-catalysts design for CO2 conversion.
Catchy's approach to use cluster beam deposition technology for fabricating (electro)catalysts based on ligand-free bimetallic clusters with controllable small sizes and compositions is expected to bring clear benefits over conventional wet chemistry or colloidal preparation methods.
The well-defined nature and the large variety of multi-metallic combination clusters is expected not only to produce new TC and ECs with enhanced activity, but also facilitating a more fundamental understanding of their structural and catalytic properties including synergetic effects tailored by the cluster composition.
Catchy fellows will have the opportunity to take up secondments at a large number of partners including industries and build up a broad scientific and technological knowledge in the strategic field of designing novel high performance thermo- and electro-catalysts design for CO2 conversion.