Article ID Journal Published Year Pages File Type
5384123 Chemical Physics Letters 2011 4 Pages PDF
Abstract
► We study the importance of dispersion interactions in 2D and 3D TiO2 structures. ► Only when dispersion is included 2D structures interact significantly. ► Overall, dispersion interactions favor 3D structures. ► Discrepancies between DFT and experiments are not completely fixed by currently available functionals.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
2D vs. 3D titanium dioxide: Role of dispersion interactions
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