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Mostrati risultati da 1 a 20 di 48
Titolo Data di pubblicazione Autori File
A coupled compressible and polarizable ionic model applied to oxide crystal structures 1-gen-1999 Fabris, S. +
Relative energetics and structural properties of zirconia using a self-consistent tight-binding model 1-gen-2000 Fabris, Stefano +
Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia 1-gen-2001 Fabris, Stefano +
Sigma 13 (10(1)over-bar4) twin in alpha-Al2O3: A model for a general grain boundary 1-gen-2001 Fabris, Stefano +
A stabilization mechanism of zirconia based on oxygen vacancies only 1-gen-2002 Fabris, Stefano +
Prismatic Sigma 3 (10(1)over-bar-0) twin boundary in alpha-Al2O3 investigated by density functional theory and transmission electron microscopy 1-gen-2002 Fabris, Stefano +
First-principles analysis of cation segregation at grain boundaries in alpha-Al2O3 1-gen-2003 Fabris, Stefano +
Ab-initio theory of grain-boundary segregation in alpha-alumina: Energetics, atomistic and electronic structures 1-gen-2003 Fabris, Stefano +
Electronic and atomistic structures of clean and reduced ceria surfaces 1-gen-2005 FABRIS, S.de Gironcoli, S.Baroni, S. +
Reply to "Comment on 'Taming multiple valency with density functionals: A case study of defective ceria'" 1-gen-2005 Fabris, S.de Gironcoli, S.Baroni, S. +
Electron localization determines defect formation on ceria substrates 1-gen-2005 Fabris, Stefano +
Templated growth of metal-organic coordination chains at surfaces 1-gen-2005 Fratesi, G.Fabris, S.de Gironcoli, S.Baroni, S. +
Taming multiple valency with density functionals: a case study of defective ceria 1-gen-2005 Fabris, S.De Gironcoli, S.Baroni, S. +
Interaction of hydrogen with cerium oxide surfaces: a quantum mechanical computational study 1-gen-2006 Fabris, S.de Gironcoli, S.Baroni, S. +
Monitoring two-dimensional coordination reactions: Directed assembly of Co-terephthalate nanosystems on Au(111) 1-gen-2006 Fabris, S.Baroni, S. +
COLL 123-Oxygen buffering at reducible oxide surfaces: Interplay between vacancies, electron localization, and adsorbate mobility on ceria 1-gen-2007 Fabris, Stefano
Defect-controlled transport properties of metallic atoms along carbon nanotube surfaces 1-gen-2007 Fabris, S.Baroni, S.Kiskinova, Maya +
Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu(110) 1-gen-2007 Fabris, Stefanode Gironcoli, Stefano MariaBaroni, Stefano +
Role of surface peroxo and superoxo species in the low-temperature oxygen buffering of ceria: Density functional theory calculations 1-gen-2007 Fabris, Stefano +
Three-dimensional tomography of the beryllium fermi surface: Surface charge redistribution 1-gen-2007 Fabris, Stefano +
Mostrati risultati da 1 a 20 di 48
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