Optimisation of accurate rutile TiO2 (110), (100), (101) and (001) surface models from periodic DFT calculations

By H. Perron, Christophe Domain, J. Roques, R. Drot, É. Simoni, H. Catalette. 2007

216 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/3d15c00f5826f4fee9d482c7816b2aa70772f05b