THE THERMOSTABILISING EFFECT OF LA DOPING ON GAMMA-AL2O3 - A MOLECULAR-DYNAMICS SIMULATION STUDY

Authors
ALVAREZ LJ JACOBS JP SANZ JF ODRIOZOLA JA
Citation
Lj. Alvarez et al., THE THERMOSTABILISING EFFECT OF LA DOPING ON GAMMA-AL2O3 - A MOLECULAR-DYNAMICS SIMULATION STUDY, Solid state ionics, 95(1-2), 1997, pp. 73-79
Citations number
11
Categorie Soggetti
Physics, Condensed Matter","Chemistry Physical
Journal title
Solid state ionics → ACNP
ISSN journal
01672738
Volume
95
Issue
1-2
Year of publication
1997
Pages
73 - 79
Database
ISI
SICI code
0167-2738(1997)95:1-2<73:TTEOLD>2.0.ZU;2-U
Abstract
Molecular dynamics simulations of the surface of gamma-Al2O3 have been carried out at 1000 K with three different La coverages in order to s tudy the thermostabilising effect of rare earth cations. The system co nsisted originally of a gamma-Al2O3 sample constituted of 1440 particl es from which 10, 15 and 20 aluminium cations of high coordination wer e replaced by lanthanum cations. The thermostabilising effect is descr ibed in terms of the hindering of migration of tetrahedral aluminium c ations by the presence of highly coordinated lanthanum cations.