MONTE-CARLO STUDY OF OXYGEN THERMAL-DESORPTION FROM YBA2CU3O6+X COMPOUND

Citation
S. Lapinskas et al., MONTE-CARLO STUDY OF OXYGEN THERMAL-DESORPTION FROM YBA2CU3O6+X COMPOUND, Surface science, 287, 1993, pp. 50-55
Citations number
11
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00396028
Volume
287
Year of publication
1993
Part
A
Pages
50 - 55
Database
ISI
SICI code
0039-6028(1993)287:<50:MSOOTF>2.0.ZU;2-J
Abstract
A Monte Carlo study of oxygen thermal desorption from the free edges o f a basal CuO plane of YBa2Cu3O6+x compound is performed. Perfectly or dered copper-oxygen chains with the imposed nearest and next-nearest n eighbour oxygen-oxygen interactions and energy barriers for oxygen dif fusion and desorption are the starting conditions of the simulation. T he characteristic peak related to the destruction of an ordered OI str ucture is found. The experimental data can be described if the surface reaction is considered as rate-limiting and readsorption of oxygen is introduced in the calculation.