Computational modelling of materials for fuel cells
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Description
This project will use computational modelling, typically classical and first-principles molecular dynamics simulations to investigate materials for solid oxide fuel cells. These techniques provide information about the structure and properties of the material at the atomic scale. Since ionic transport is crucial for these materials, we will characterise candidate materials in terms of their atomic structure and ionic transport. In particular, this project will focus on the role of structural disorder in the materials and how this affects the transport properties. We will make extensive use of high-performance computing, both at the national and university levels.
The overall aim is to understand the chemistry and transport of candidate materials for fuel cell applications and use this atomic-level understanding to design improved fuel cell materials.
| Loughborough University | LEAD_ORG |
| Steven Christie | SUPER_PER |
| Shariq Akhtar | STUDENT_PER |
Subjects by relevance
- Fuel cells
- Structure (properties)
- Materials (matter)
- Electrochemistry
- Transport
- Molecules
Extracted key phrases
- Fuel cell material
- Solid oxide fuel cell
- Computational modelling
- Candidate material
- Fuel cell application
- Transport property
- Ionic transport
- Principle molecular dynamic simulation
- Extensive use
- Atomic structure
- Atomic scale
- Project
- Level understanding
- University level
- Structural disorder