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Relative Stability of F-Covered TiO2 Anatase (101) and (001) Surfaces from Periodic DFT Calculations and ab Initio Atomistic Thermodynamics

Research areaChemistry and Materials Science and Technology
TitleRelative Stability of F-Covered TiO2 Anatase (101) and (001) Surfaces from Periodic DFT Calculations and ab Initio Atomistic Thermodynamics
Publication TypeJournal Article
Publication year2014
AuthorsLamiel-Garcia, O, Tosoni, S, Illas, F
JournalJournal of Physical Chemistry C
Volume118
Number25
Pages13667-13673
DOI10.1021/jp503269n