Objective
A multiscale theoretical investigation of the CO oxidation on Au nanostructures supported on various oxides is proposed. Since Haruta’s 1987 discovery of the exceptional activity of gold (Au) nanoparticles (2-5 nm in diameter), many groups have verified this exceptional activity towards many reactions when supported on certain oxides. For example, the Au/TiO2 system exhibits unprecedented activity in low temperature CO oxidation via O2. CO oxidation is of paramount importance not only in automotive catalysis but also in modern energy related applications including hydrogen production via the water-gas shift reaction with steam from fossil and renewable fuels, hydrogen purification via selective oxidation of hydrogen with oxygen, fuel cells, etc. Although the high activity of Au is beyond any doubt, there is still much debate on the nature of active sites and the underlying reaction mechanisms. Herein, a multiscale bottom-up approach will be developed that cuts among “ab-initio” and semi-empirical (free-energy related) techniques and integrates this information into first-principles Monte Carlo kinetics simulations in order to explain the exceptional reactivity of Au nanoparticles on certain supports, explore its electronic properties and eventually pave the way for design of efficient catalysts for hydrogen purification and fuel cells applications.
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 inorganic chemistry inorganic compounds
- natural sciences chemical sciences electrochemistry electrolysis
- engineering and technology nanotechnology nano-materials
- engineering and technology environmental engineering energy and fuels fuel cells
- engineering and technology environmental engineering energy and fuels renewable energy hydrogen energy
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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.
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.
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.
FP7-PEOPLE-2007-4-1-IOF
See other projects for this call
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.
Coordinator
700 13 IRAKLEIO
Greece
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.