Optimisation of accurate rutile TiO 2 (110), (100), (101) and (001) surface models from periodic DFT calculations

Author： Perron H. Domain C. Roques J. Drot R. Simoni E. Catalette H.

ISSN： 1432-881X

Source： Theoretical Chemistry Accounts, Vol.117, Iss.4, 2007-04, pp. : 565-574

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