dc.identifier.uri |
http://dx.doi.org/10.15488/410 |
|
dc.identifier.uri |
http://www.repo.uni-hannover.de/handle/123456789/433 |
|
dc.contributor.author |
Chadwick, A.V.
|
|
dc.contributor.author |
Duevel, Andre
|
|
dc.contributor.author |
Heitjans, Paul
|
|
dc.contributor.author |
Pickup, D.M.
|
|
dc.contributor.author |
Ramos, S.
|
|
dc.contributor.author |
Sayle, D.C.
|
|
dc.contributor.author |
Sayle, T.X.T.
|
|
dc.date.accessioned |
2016-08-12T08:59:23Z |
|
dc.date.available |
2016-08-12T08:59:23Z |
|
dc.date.issued |
2015 |
|
dc.identifier.citation |
Chadwick, A. V.; Duevel, A.; Heitjans, P.; Pickup, D. M.; Ramos, S. et al.: X-Ray Absorption Spectroscopy and Computer Modelling Study of Nanocrystalline Binary Alkaline Earth Fluorides. In: IOP Conference Series-Materials Science and Engineering 80 (2015) , 12005. DOI: http://dx.doi.org/10.1088/1757-899X/80/1/012005 |
|
dc.description.abstract |
Nanocrystalline samples of Ba1-xCaxF2 prepared by high-energy milling show an unusually high F-ion conductivity, which exhibit a maximum in the magnitude and a minimum in the activation energy at x = 0.5. Here, we report an X-ray absorption spectroscopy (XAS) at the Ca and Sr K edges and the Ba L-3 edge and a molecular dynamics (MD) simulation study of the pure and mixed fluorides. The XAS measurements on the pure binary fluorides, CaF2, SrF2 and BaF2 show that high-energy ball-milling produces very little amorphous material, in contrast to the results for ball milled oxides. XAS measurements of Ba1-xCaxF2 reveal that for 0 < x < 1 there is considerable disorder in the local environments of the cations which is highest for x = 0.5. Hence the maximum in the conductivity corresponds to the composition with the maximum level of local disorder. The MD calculations also show a highly disordered structure consistent with the XAS results and similarly showing maximum disorder at x = 0.5. |
eng |
dc.language.iso |
eng |
|
dc.publisher |
Bristol : IOP Publishing Ltd. |
|
dc.relation.ispartofseries |
IOP Conference Series-Materials Science and Engineering 80 (2015) |
|
dc.rights |
CC BY 3.0 Unported |
|
dc.rights.uri |
https://creativecommons.org/licenses/by/3.0/de/ |
|
dc.subject |
ionic-conductivity |
eng |
dc.subject |
composites |
eng |
dc.subject |
caf2 |
eng |
dc.subject.classification |
Konferenzschrift |
ger |
dc.subject.ddc |
500 | Naturwissenschaften
|
ger |
dc.subject.ddc |
540 | Chemie
|
ger |
dc.title |
X-Ray Absorption Spectroscopy and Computer Modelling Study of Nanocrystalline Binary Alkaline Earth Fluorides |
eng |
dc.type |
Article |
|
dc.type |
Text |
|
dc.relation.essn |
1757-899X |
|
dc.relation.issn |
1757-8981 |
|
dc.relation.doi |
http://dx.doi.org/10.1088/1757-899X/80/1/012005 |
|
dc.bibliographicCitation.volume |
80 |
|
dc.bibliographicCitation.firstPage |
12005 |
|
dc.description.version |
publishedVersion |
|
tib.accessRights |
frei zug�nglich |
|