Objective
"Given the current energy crisis, caused by the depletion of fossil fuel sources and/or environmental necessity to reduce CO2, geopolitical and environmental concerns surrounding energy uncertainty have become a topic difficult to ignore. It is, therefore, of paramount importance, for the present and long term viability of the European (and global) economy, to find more efficient means to produce, store and transport energy. To this end, hydrogen-based technologies, have been put forward as one of the technologies that could potentially play a significant role in the mid- and long-term future of energy generation.
In this work, we aim to address one of the most important hurdles towards a hydrogen economy: hydrogen storage. We propose to use a combination of computational techniques, Density Functional Theory (DFT), kinetic Monte Carlo (kMC) and CALculation of PHAse Diagrams (CALPHAD), to study lightweight Laves phase materials as possible candidates for hydrogen storage. The information extracted from DFT and kMC calculations will be used to generate phase diagrams and thermodynamics databases, via CALPHAD calculations. This information will then be employed to design lightweight Ca-Mg-based materials, with a targeted hydrogen storage capacity close to 4 wt.% and reversible hydrogen absorption below 100 ºC.
The successful outcome of this project could have a two-fold impact: on a technological level, the information obtained from this program will be very valuable to the development of cheap lightweight Ca-Mg-based hydrogen storage alloys for automobile applications. On a more fundamental level, this project could provide an unprecedented understanding of the structural and chemical properties of these materials. Also, this project will represent the first attempt, in this field, to combine DFT, kMC and CALPHAD calculations together and therefore will provide information on the feasibility/success of this technique and its application to other systems."
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 computer and information sciences databases
- natural sciences physical sciences thermodynamics
- engineering and technology environmental engineering energy and fuels renewable energy hydrogen energy
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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.
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-2011-IEF
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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
28906 Getafe
Spain
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.