Project description
Nanocrystals to catalyse CO2 reduction reaction
Materials that successfully and selectively catalyse the reduction of CO2(CO2RR) into chemical raw materials could drive a sustainable zero-emission energy conversion cycle in the production of fuels and base chemicals. Colloidal techniques have been instrumental in the synthesis of metallic nanocrystals (NCs). These perform perfect selectivity for energy-dense products. As such, the rationalisation of the NC synthesis pathway, stability in operando and the CO2RR mechanism they catalyse represent a great challenge. The EU-funded NANOCO2RE project will promote the synthesis of effective and solid colloidal NCs for CO2RR by empowering the study of all NC life stages through accurate in silico research. It will combine electronic structure, improved sampling and Big Data techniques to establish rational design standards in the synthesis of solid and selective NCs for CO2RR.
Objective
Materials that efficiently and selectively catalyse the reduction of CO2(CO2RR) into chemical feedstocks would open the path to a sustainable zero-emission energy conversion cycle in the making of fuels and base chemicals. Colloidal techniques demonstrated as impactful in the synthesis of metallic nanocrystals (NCs) presenting optimal selectivity towards energy dense products, ideal for energy storage. The challenges in rationalizing NCs synthesis pathway, stability in-operando, and the CO2RR mechanism they catalyse thus present a great reward.
To promote the synthesis of efficient and stable colloidal NCs for CO2RR, NanoCO2RE will encompass the study of all NCs life-stages by means of systematic in-silico investigations probing:
1) NCs application as catalysts, by screening the selectivity and activity of a large number of non equivalent adsorption sites that catalyse CO2RR, to identify the ideal ones to be engineered in a high-performance NC.
2) NCs eventual degradation in-operando, by sampling structural rearrangement in NCs presenting different size, shape, composition under reaction conditions, to single out suitable designs preventing detrimental NC restructuring.
3) NCs growth pathways, to establish NCs programmable synthesis route as a function of tunable parameters (precursors, temperature, reagents).
NanoCO2RE will exploit the combination of electronic structure, enhanced sampling, and big-data techniques to encode the necessary realistic complexity and predictive accuracy, and in turn to establish rational design criteria in the synthesis of stable and selective nanocatalysts for CO2RR. Beyond the use of state-of-the-art numerical tool, a strong interdisciplinary approach is at the grounds of the project: in-silico investigations will be synergically paralleled by akin experimental studies in the host laboratory. Theory and experiments coming together is indeed key in achieving advances in the rational design of nanocatalysts.
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.
- engineering and technology nanotechnology nano-materials nanocrystals
- natural sciences chemical sciences catalysis
- engineering and technology environmental engineering energy and fuels energy conversion
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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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H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions
MAIN PROGRAMME
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H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility
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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.
MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF)
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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) H2020-MSCA-IF-2019
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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.
1015 LAUSANNE
Switzerland
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.