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.
Department of Environmental and Ordnance Systems, Cranfield University, RMCS, Shrivenham, Swindon, UK. D.C.Sayle@Cranfield.ac.uk
Dean C
DC
Sayle
James A
JA
Doig
Stephen C
SC
Parker
Graeme W
GW
Watson
Thi X T
TX
Sayle
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