Article ID Journal Published Year Pages File Type
5422921 Surface Science 2011 8 Pages PDF
Abstract
► Properties of low index rutile TiO2 surfaces. ► A new Tight-Binding Variable-Charge model for iono-covalent compounds. ► DFT calculations. ► Surface energies, atomic relaxations and charge transfer.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Properties of rutile TiO2 surfaces from a Tight-Binding Variable-Charge model. Comparison with ab initio calculations
Authors
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