6-10 July 2015
Institute of Nuclear Physics PAN, Kraków
Europe/Warsaw timezone

Challenges in theoretical description of molecular crystals for energy storage

7 Jul 2015, 15:30
20m
Crown Piast Hotel

Crown Piast Hotel

Speaker

Prof. Zbigniew Łodziana (Institute of Nuclear Physics PAN, Kraków)

Description

Metal borohydride complexes and their derivatives are of great interest due to their potential as hydrogen storage materials. Thermodynamic and kinetic properties of these materials can be tuned using: mixed-metal borohydride complexes; ammonia-containing metal borohydrides; confinement of these materials in small nanopores. Any of such procedures leads to materials with complex crystalline structure that is difficult to study due to large fraction of light elements. Challenges in theoretical description of tuned complex hydrides will be presented.

Primary author

Prof. Zbigniew Łodziana (Institute of Nuclear Physics PAN, Kraków)

Co-authors

Dr Arndt Remhof (EMPA, Dep. Materials for Energy Conversion, Switzerland) Dr Piotr Błoński (Institute of Nuclear Physics PAN, Kraków) Dr Yignag Yan (EMPA, Dep. Materials for Energy Conversion, Switzerland)

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