Objective
"The present-day chemicals industry heavily depends on fossil fuels, contributing significantly to the concerning rise in global CO2 emissions. However, for transitioning to renewables, large-scale and high energy-density energy storage is needed. The CO2 electroreduction reaction holds promise in this direction, due to its unique ability to convert waste CO2 emissions back into valuable base chemicals at ambient conditions, using renewable electricity. However, it currently lacks industrial adoption, due to the lack of highly selective and stable catalysts. Understanding the catalytic properties such as selectivity and stability at the atomic scale requires fundamental insights about the ""real"" catalyst structure under reaction conditions and its effects on the reaction mechanisms. The goal of this project is to investigate this structure sensitivity of the Cu-based CO2 electroreduction reaction by developing a structure-dependent microkinetic model. To achieve this, I will use Boltzmann statistics and DFT calculations to predict ensembles of Cu nanoparticles with thermodynamically most stable morphologies under experimental reaction conditions and account for the respective distribution of active sites. Thereafter, the reaction pathways towards key products such as hydrogen, methane and ethylene over the active sites will be investigated. The multiscale analysis based on the structure-dependent microkinetic modeling will connect the experimentally observed macroscopic reaction rates with the nanoscale true structure of the catalyst, revealing the structure-property relationships of the CO2 electroreduction catalyst. The potential outcomes are: 1) understanding how catalyst structure at the nanoscale affects its properties in the CO2 electroreduction process; 2) achieving a wider adoption of multiscale modelling as a tool for rational electrocatalyst design; and 3) establishing stronger collaborations between experimental and theoretical catalysis."
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
- natural sciences chemical sciences catalysis
- engineering and technology nanotechnology nano-materials
- natural sciences chemical sciences organic chemistry aliphatic compounds
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA)
MAIN PROGRAMME
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Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships
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Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) HORIZON-MSCA-2022-PF-01
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Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
20133 Milano
Italy
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.