Project description
Optimising synthesis protocols of nanocrystals with kinetic shapes
Current crystal shape formation theory, based on thermodynamic equilibrium, predicts that crystals adopt a shape that minimises their total surface energy. While this theoretically explains the shape of mineralogical crystals, it does not apply to all nanocrystals. The ERC-funded kineticSHAPES project will investigate the kinetic pathways and thermodynamic conditions that govern the shape of nanocrystals. To do so, it will develop simulation techniques that capture the kinetic effects of ligands and ions in solution at a molecular scale, while enabling the formation of nanocrystal facets and shapes at mesoscopic scales. Ultimately, the project aims to identify shape diagrams that pinpoint thermodynamic conditions and kinetic factors to tune crystallographic direction and surface area with maximum synthesis yield.
Objective
The shape of nanocrystals is crucial in determining surface area, reactivity, optical properties, mechanical strength, and self-assembly behavior. The current theory on shape formation is based on thermodynamic equilibrium and predicts that each crystal structure should enforce a unique shape, with few morphological variations depending on solution chemistry. Whereas this theory succeeded in explaining crystal habits in mineralogy, it mispredicts many nanocrystals, pointing out the necessity of a non-equilibrium description of shapes. Critical to this project are robust and scalable simulation techniques that capture kinetic effects of ligands and ions in solution at the atomic/molecular scale, while enabling the formation of facets and shapes at mesoscopic scales. Research questions include understanding (i) kinetically trapped shapes in metastable equilibria, (ii) symmetry-breaking from the underlying crystal structure, (iii) the bifurcation of growth pathways leading to synthesis yield, (iv) the emergence of chiral and asymmetric features, and (v) the role of the concentration field in the solution. Central will be the finding of shape diagrams that pinpoint thermodynamic conditions and kinetic factors to tune crystallographic direction and surface area of facets with maximum synthesis yield. Shapes of interest include classic polyhedra, 1D and 2D geometries, multiply twinned particles, concave and high Miller index facets, and branched shapes. This project will allow theory- and computer-aided design and optimization of synthesis protocols of nanocrystals with kinetic shapes.
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 materials engineering crystals
- natural sciences physical sciences condensed matter physics soft matter physics
- engineering and technology nanotechnology nano-materials nanocrystals
- natural sciences earth and related environmental sciences geology mineralogy
- natural sciences mathematics pure mathematics geometry
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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.1.1 - European Research Council (ERC)
MAIN PROGRAMME
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Topic(s)
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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-ERC - HORIZON ERC Grants
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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) ERC-2025-STG
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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.
EX4 4QJ Exeter
United Kingdom
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.