fig7

Figure 7. (A) Experimental and simulated 1D ¹⁷O MAS NMR spectra of TiO₂ (001). The simulated spectra are based on DFT calculations on different structures; (B) The structure model of TiO₂ (101); (C) Experimental and simulated 1D ¹⁷O MAS NMR spectra of the fully dried surface-selectively ¹⁷O-labeled TiO₂ (101) (black line). The simulated spectra (colored lines and peaks) by using parameters obtained from DFT calculations. Reproduced with permission from^[105]. Copyright 2017, Springer Nature. 1D: One-dimensional; MAS: magic angle spinning; NMR: nuclear magnetic resonance; DFT: density functional theory.