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Thermal properties ...
Thermal properties of materials from first principles
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- Hellman, Olle, 1981- (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Simak, Sergey, Dr. (thesis advisor)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Abrikosov, Igor, Professor (thesis advisor)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Nieminen, Risto, Professor (opponent)
- Department of Applied Physics, Aalto University School of Science, Aalto, Finland
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(creator_code:org_t)
- ISBN 9789175198842
- Linköping : Linköping University Electronic Press, 2012
- English 62 s.
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Series: Linköping Studies in Science and Technology. Dissertations, 0345-7524 ; 1453
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Abstract
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- In the search of clean and efficient energy sources intermediate temperature solid oxide fuel cells are among the prime candidates. What sets the limit of their efficiency is the solid electrolyte. A promising material for the electrolyte is ceria. This thesis aims to improve the characteristics of these electrolytes and help provide thorough physical understanding of the processes involved. This is realised using first principles calculations.The class of methods based on density functional theory generally ignores temperature effects. To accurately describe the intermediate temperature characteristics I have made adjustments to existing frameworks and developed a qualitatively new method. The new technique, the high temperature effective potential method, is a general theory. The validity is proven on a number of model systems.Other subprojects include low-dimensional segregation effects, adjustments to defect concentration formalism and optimisations of ionic conductivity.
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- vet (subject category)
- dok (subject category)
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