Computer aided design of nano-structured materials with tailored ionic conductivities.
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.
Sayle
Dean C
DC
Department of Environmental and Ordnance Systems, Cranfield University, RMCS, Shrivenham, Swindon, UK. D.C.Sayle@Cranfield.ac.uk
Doig
James A
JA
Parker
Stephen C
SC
Watson
Graeme W
GW
Sayle
Thi X T
TX
D017609:Barium Compounds / Q000737:chemistry; D002124:Calcium Fluoride / Q000737:chemistry; D002412:Cations / Q000737:chemistry; D017076:Computer-Aided Design; D004553:Electric Conductivity; D005459:Fluorides / Q000737:chemistry; D007477:Ions / Q000737:chemistry; D007700:Kinetics; D008420:Manufactured Materials / Q000032:analysis*; D008958:Models, Molecular
D017609:Barium Compounds; D002412:Cations; D007477:Ions; C055150:barium fluoride; D002124:Calcium Fluoride; D005459:Fluorides