Engineering and Materials Research Seminar Series

Computational Pathways to Higher Efficiency Solid Oxide Fuel Cells

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Seminars

As part of the School of Science and Technology's Engineering and Materials Research Seminar Series, Nnamdi Samuel, NTU presents: Computational Pathways to Higher Efficiency Solid Oxide Fuel Cells.

  • From: Wednesday 7 November 2018, 1 pm
  • To: Wednesday 7 November 2018, 2 pm
  • Location: 015, CELS, Nottingham Trent University, Clifton Campus, Clifton Lane, Nottingham, NG11 8NS

Past event

Event details

As part of the School of Science and Technology's Engineering and Materials Research Seminar Series, Nnamdi Samuel, NTU presents: Computational Pathways to Higher Efficiency Solid Oxide Fuel Cells.

Abstract

Development and commercialisation of Fuel Cell (FC) devices have been at the forefront of research focus on alternative energy sources. Major limitations to the commercialisation of ‘Solid Oxide Fuel Cell (SOFC)’ is due to “coking” and sulphurisation of the most commonly used nickel/yttrium stabilised zirconia (Ni/YSZ) anode. In three-way-catalysis (TWC), Cu/CeO2 catalyst has demonstrated the potential to inhibit coking and improves the sulphur tolerance capacity of the ceria base devices. In this talk, we propose a first principle description of a bulk-like Cu stripe on CeO2(111) slab as an alternative anode for Solid Oxide Fuel Cells. Our LDA+U (U = 6 eV applied to the Ce4f state only) models description shows an overlayer of 3:2 Cu:CeO2(111) nanocomposite with a very small strain of about 0.38% on the Cu stripe, which is in close agreement with the experimental lattice parameter mismatch of 0.37%. S-species interactions at the surface and interface of the modelled Cu/CeO2(111) nanocomposite was used as a test for the efficiency of the proposed anode. Our description shows a much lesser susceptibility to sulphur accumulation and even a higher improvement of over 20% when the Cu stripe is doped.

This seminar is hosted by Dr Ian Shuttlewoth

All Welcome

For any enquires please contact Dr Ian Shuttleworth

Location details

Room/Building:

015, CELS

Address:

Nottingham Trent University
Clifton Campus
Clifton Lane
Nottingham
NG11 8NS

Past event

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