Literature DB >> 19785169

Computer aided design of nano-structured materials with tailored ionic conductivities.

Dean C Sayle1, James A Doig, Stephen C Parker, Graeme W Watson, Thi X T Sayle.   

Abstract

We show, using simulation techniques, that the high ionic conductivity in BaF2/CaF2 heterolayers is because the interfaces reduce the activation energy barriers to mobility and increase the number of charge carriers.

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Year:  2005        PMID: 19785169     DOI: 10.1039/b413107j

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  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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