Oxides surfaces and thin films are finding continuous new technological applications and represent an important class of systems in materials science. Today we assist to a considerable effort to characterize the surfaces and the interfaces of oxide materials at an atomistic level. The intense experimental activity in this field has stimulated a parallel computational activity based on high-quality first principle calculations. In this review we focus our attention on the properties of oxide surfaces, and we describe the main factors that contribute to determine their behaviour: (1) nature of the bonding and electronic structure of the oxide; (2) surface morphology and defectivity; (3) doping and functionalization; (4) redox properties; (5) nano-dimensionality (e.g. in ultra-thin films). We also show how each of these parameters can affect the properties of supported metal atoms and nano-particles.

Cinquini, F., DI VALENTIN, C., Finazzi, E., Giordano, L., & Pacchioni, G. (2007). Theory of oxides surfaces, interfaces and supported nano-clusters. THEORETICAL CHEMISTRY ACCOUNTS, 117(05-giu), 827-845 [10.1007/s00214-006-0204-3].

Theory of oxides surfaces, interfaces and supported nano-clusters

DI VALENTIN, CRISTIANA;FINAZZI, EMANUELE;GIORDANO, LIVIA;PACCHIONI, GIANFRANCO
2007-05

Abstract

Oxides surfaces and thin films are finding continuous new technological applications and represent an important class of systems in materials science. Today we assist to a considerable effort to characterize the surfaces and the interfaces of oxide materials at an atomistic level. The intense experimental activity in this field has stimulated a parallel computational activity based on high-quality first principle calculations. In this review we focus our attention on the properties of oxide surfaces, and we describe the main factors that contribute to determine their behaviour: (1) nature of the bonding and electronic structure of the oxide; (2) surface morphology and defectivity; (3) doping and functionalization; (4) redox properties; (5) nano-dimensionality (e.g. in ultra-thin films). We also show how each of these parameters can affect the properties of supported metal atoms and nano-particles.
Articolo in rivista - Articolo scientifico
Scientifica
oxide surfaces; metal-oxide interfaces; metal clusters; surface chemistry; defects; thin films
English
827
845
Cinquini, F., DI VALENTIN, C., Finazzi, E., Giordano, L., & Pacchioni, G. (2007). Theory of oxides surfaces, interfaces and supported nano-clusters. THEORETICAL CHEMISTRY ACCOUNTS, 117(05-giu), 827-845 [10.1007/s00214-006-0204-3].
Cinquini, F; DI VALENTIN, C; Finazzi, E; Giordano, L; Pacchioni, G
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10281/1407
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