Literature DB >> 12931976

Synthesis, structure and ionic conductivity in nanopolycrystalline BaF2/CaF2 heterolayers.

Dean C Sayle1, James A Doig, Stephen C Parker, Graeme W Watson.   

Abstract

Atomistic simulations have shown that the calculated conductivity of nano-polycrystalline BaF2/CaF2 heterolayers is considerably higher than the component bulk materials and we predict that grain-boundary diffusion is the key to fast ionic conductivity in these systems.

Entities:  

Year:  2003        PMID: 12931976     DOI: 10.1039/b305393h

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  1 in total

Review 1.  Molecular dynamics simulation of ionic conductors: perspectives and limitations.

Authors:  Dirk Zahn
Journal:  J Mol Model       Date:  2010-10-31       Impact factor: 1.810

  1 in total

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