scholarly journals Morphology control of anatase TiO2 for well-defined surface chemistry

2018 ◽  
Vol 20 (21) ◽  
pp. 14362-14373 ◽  
Author(s):  
Gabriel Jeantelot ◽  
Samy Ould-Chikh ◽  
Julien Sofack-Kreutzer ◽  
Edy Abou-Hamad ◽  
Dalaver H. Anjum ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Nuclear Magnetic Resonance ◽  
Titanium Dioxide ◽  
Infrared Spectroscopy ◽  
Magnetic Resonance ◽  
Surface Chemistry ◽  
Density Functional ◽  
Anatase Tio2 ◽  
Functional Theory ◽  
Surface Hydroxyls

Surface hydroxyls of titanium dioxide (anatase) are studied by infrared spectroscopy, density functional theory and nuclear magnetic resonance. They are found to be dependent on morphology and fluoride content.

scholarly journals A multi-nuclear magnetic resonance and density functional theory investigation of epitaxially grown InGaP2

2016 ◽  
Vol 18 (31) ◽  
pp. 21296-21304 ◽  
Author(s):  
P. J. Knijn ◽  
P. J. M. van Bentum ◽  
C. M. Fang ◽  
G. J. Bauhuis ◽  
G. A. de Wijs ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Density Functional ◽  
Nmr Spectra ◽  
Functional Theory ◽  
Dft Modelling ◽  
Nuclear Magnetic

NMR spectra of InGaP2, dependent on coordination and disorder. Experimental (left) and DFT modelling (right).

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