Theory of oxides surfaces, interfaces and supported nano-clusters |
| |
Authors: | Fabrizio Cinquini Cristiana Di Valentin Emanuele Finazzi Livia Giordano Gianfranco Pacchioni |
| |
Institution: | 1. Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via R. Cozzi, 53, 20125, Milano, Italy
|
| |
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. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|