- Computer aided design of nano-structured materials with tailored ionic conductivities.
Computer aided design of nano-structured materials with tailored ionic conductivities.
Physical chemistry chemical physics : PCCP (2005-01-07)
Dean C Sayle, James A Doig, Stephen C Parker, Graeme W Watson, Thi X T Sayle
PMID19785169
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.