Theoretical design of ceria-based electrolyte materials

• 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.

Subject headings

TEKNIK OCH TEKNOLOGIER  -- Maskinteknik -- Energiteknik (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Mechanical Engineering -- Energy Engineering (hsv//eng)

Keyword

Fuel cells

Ab initio method

Computational physics

Doping strategies

Electrolyte material

Ion conductivities

Materials research

Method development

Theoretical design

Electrolytes

Publication and Content Type

ref (subject category)

kon (subject category)