Sfoglia per Autore
A coupled compressible and polarizable ionic model applied to oxide crystal structures
1999-01-01 Marks, N. A.; Fabris, S.; Finnis, M. W.
Relative energetics and structural properties of zirconia using a self-consistent tight-binding model
2000-01-01 Fabris, Stefano; Paxton, At; Finnis, Mw
Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia
2001-01-01 Fabris, Stefano; Paxton, At; Finnis, Mw
Sigma 13 (10(1)over-bar4) twin in alpha-Al2O3: A model for a general grain boundary
2001-01-01 Fabris, Stefano; Elsasser, C.
Prismatic Sigma 3 (10(1)over-bar-0) twin boundary in alpha-Al2O3 investigated by density functional theory and transmission electron microscopy
2002-01-01 Fabris, Stefano; Nufer, S; Elsasser, C; Gemming, T.
A stabilization mechanism of zirconia based on oxygen vacancies only
2002-01-01 Fabris, Stefano; Paxton, At; Finnis, Mw
First-principles analysis of cation segregation at grain boundaries in alpha-Al2O3
2003-01-01 Fabris, Stefano; Elsasser, C.
Ab-initio theory of grain-boundary segregation in alpha-alumina: Energetics, atomistic and electronic structures
2003-01-01 Fabris, Stefano; Elsässer, C.
Electronic and atomistic structures of clean and reduced ceria surfaces
2005-01-01 Fabris, S.; Vicario, G.; Balducci, G.; de Gironcoli, S.; Baroni, S.
Reply to "Comment on 'Taming multiple valency with density functionals: A case study of defective ceria'"
2005-01-01 Fabris, S.; de Gironcoli, S.; Baroni, S.; Vicario, G.; Balducci, G.
Electron localization determines defect formation on ceria substrates
2005-01-01 Esch, F; Fabris, Stefano; Zhou, L; Montini, T; Africh, C; Fornasiero, P; Comelli, G; Rosei, R.
Templated growth of metal-organic coordination chains at surfaces
2005-01-01 Classen, T.; Fratesi, G.; Costantini, G.; Fabris, S.; Stadler, F. L.; Kim, C.; de Gironcoli, S.; Baroni, S.; Kern, K.
Taming multiple valency with density functionals: a case study of defective ceria
2005-01-01 Fabris, S.; De Gironcoli, S.; Baroni, S.; Vicario, G.; Balducci, G.
Monitoring two-dimensional coordination reactions: Directed assembly of Co-terephthalate nanosystems on Au(111)
2006-01-01 Clair, S.; Pons, S.; Fabris, S.; Baroni, S.; Brune, H.; Kern, K.; Barth, J. V.
Interaction of hydrogen with cerium oxide surfaces: a quantum mechanical computational study
2006-01-01 Vicaro, G.; Balducci, G.; Fabris, S.; de Gironcoli, S.; Baroni, S.
Defect-controlled transport properties of metallic atoms along carbon nanotube surfaces
2007-01-01 Barinov, A.; Ustunel, H.; Fabris, S.; Gregoratti, L.; Aballe, L.; Dudin, P.; Baroni, S.; Kiskinova, Maya
Three-dimensional tomography of the beryllium fermi surface: Surface charge redistribution
2007-01-01 Vobornik, I.; Fujii, J.; Hochstrasser, M.; Krizmancic, D.; Viol, C. E.; Panaccione, G.; Fabris, Stefano
Role of surface peroxo and superoxo species in the low-temperature oxygen buffering of ceria: Density functional theory calculations
2007-01-01 Huang, Min; Fabris, Stefano
Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu(110)
2007-01-01 Classen, T.; Lingenfelder, M.; Wang, Y.; Chopra, R.; Virojanadara, C.; Starke, U.; Costantini, G.; Fratesi, G.; Fabris, Stefano; de Gironcoli, Stefano Maria; Baroni, Stefano; Haq, S.; Raval, R.; Kern, K.
COLL 123-Oxygen buffering at reducible oxide surfaces: Interplay between vacancies, electron localization, and adsorbate mobility on ceria
2007-01-01 Fabris, Stefano
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