Objective
Research objectives and contentThe applicant proposes to work in the group of Prof. M. Gillan at Keele University on the application of advance first-principles techniques to study molecular processes on the surfaces of tin oxide. The project is important because tin oxide is used in practical commercial devices for detection of gases. The first-principles are based on the densityfunctional pseudopotential approach and will make used of massively parallel computation techniques. The project has four stages: first, the study of the structure and energetics of the important surfaces of SnO2; second, the oxidation and reduction of the surfaces; third, the adsorption of carbon monoxide, and the chemical pathway for its oxidation to form carbon dioxide; fourth, the adsorption of water. If times permits, methods for calculating free energies will be developed.
Training content (objective, benefit and expected impact)
The project will provide training in: (i) the use of density-functional techniques for studying surface processes; (ii) the use of massively parallel computation. This training is appropiate because the applicant's Ph.D. work has already give him experience in using other ab initio techniques for studying oxide surfaces.
Links with industry / industrial relevance (22)
The project will improve knowledge of the surfaces responsible for gas detection in commercial devices, and this will help to improve the cost-effectiveness of the devices.
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
- natural sciences chemical sciences inorganic chemistry post-transition metals
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Programme(s)
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Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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.
Call for proposal
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Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Funding Scheme
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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
W1P 7PP LONDON
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.