Objective
The study of molecular nanostructures is in the forefront of research due to their high application potential as electronic components. Recently several theoretical groups have placed large effort into developing new tools to accurately describe the electronic properties of molecular nanostructures. This proposal aims to significantly advance the limits of current capabilities and provide the theoretical tools needed to underpin research in nanoelectronics on a five to ten years timescale. The proposed research focuses on the electronic properties of nanostructures, including single-molecule wires, carbon nanotubes, and other carbon nanostructures, such as functionalized graphene strips. The theoretical tools to be used are based on the non-equilibrium Green's function formalism and density functional theory (DFT). The recently-announced code SMEAGOL (Spin and Molecular Electronics in Atomically Generated Orbital Landscapes) developed by the host institution and collaborators is to be used for the study of transport properties. This code works in conjunction with the localized orbital based, linearly scaling DFT code SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms). Where necessary, these calculations are to be augmented with the plane-wave based VASP (Vienna ab initio simulation pakcage) code, which the applicant has vast experience with. One focus of the project is to incorporate electron-phonon interactions into the SMEAGOL code, to enable the study of room temperature transport properties. Successful completion of the research objectives will yield significant progress in the field of molecular electronics. The impact of the planned research may potentially influence the development of applied science in the European Union, as it may eventually boost the progress of research on possible applications in the field of molecular electronics.
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 two-dimensional nanostructures graphene
- engineering and technology nanotechnology nanoelectronics
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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-2007-2-1-IEF
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
LA1 4YW LANCASTER
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.