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Theoretical design of ceria-based electrolyte materials
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
2011 (English)In: EFC 2011 - Proceedings of the 4th European Fuel Cell Piero Lunghi Conference and Exhibition, 2011, 61-62 p.Conference paper (Refereed)
Abstract [en]

Recent method development and increasing computer power have made ab initio methods of computational physics a robust, complimentary tool of modern materials research. Here we discuss how these methods can be used to understand some basic mechanisms determining the ion mobility in ceria-based electrolyte materials and to predict compositions with improved ion conductivity as well as to suggest new doping strategies.

Place, publisher, year, edition, pages
2011. 61-62 p.
Keyword [en]
Fuel cells, Ab initio method, Computational physics, Doping strategies, Electrolyte material, Ion conductivities, Materials research, Method development, Theoretical design, Electrolytes
National Category
Energy Engineering
URN: urn:nbn:se:kth:diva-167661ScopusID: 2-s2.0-84923608542ISBN: 9788882862541OAI: diva2:816403
4th European Fuel Cell Piero Lunghi Conference and Exhibition, EFC 2011, Rome, Italy, 14-16 December 2011

QC 20150603

Available from: 2015-06-03 Created: 2015-05-22 Last updated: 2015-06-03Bibliographically approved

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Skorodumova, Natalia V.
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