scholarly journals Nature of Paramagnetic Species in Nitrogen-Doped SnO2: A Combined Electron Paramagnetic Resonance and Density Functional Theory Study

2015 ◽  
Vol 119 (48) ◽  
pp. 26895-26903 ◽  
Author(s):  
Elisa Albanese ◽  
Cristiana Di Valentin ◽  
Gianfranco Pacchioni ◽  
Frédéric Sauvage ◽  
Stefano Livraghi ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electron Paramagnetic Resonance ◽  
Density Functional ◽  
Paramagnetic Species ◽  
Density Functional Theory Study ◽  
Paramagnetic Resonance ◽  
Functional Theory ◽  
Nitrogen Doped ◽  
Electron Paramagnetic

The photoactive nitrogen impurity in nitrogen-doped zirconium titanate (N-ZrTiO4): a combined electron paramagnetic resonance and density functional theory study

2017 ◽  
Vol 5 (25) ◽  
pp. 13062-13071 ◽  
Author(s):  
Valeria Polliotto ◽  
Elisa Albanese ◽  
Stefano Livraghi ◽  
Gianfranco Pacchioni ◽  
Elio Giamello
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Zirconium Titanate ◽  
Density Functional Theory Study ◽  
Paramagnetic Resonance ◽  
Functional Theory ◽  
Nitrogen Doped ◽  
Nitrogen Impurity ◽  
Electron Paramagnetic ◽  
Paramagnetic Centres

Nitrogen insertion in ZrTiO4 introduces photosensitive paramagnetic centres altering the magnetic and the optical properties of the bare material.

Redox Levels of a closo-Osmaborane: A Density Functional Theory, Electron Paramagnetic Resonance and Electrochemical Study

2015 ◽  
Vol 54 (9) ◽  
pp. 4292-4302 ◽  
Author(s):  
Alexandr N. Simonov ◽  
John F. Boas ◽  
Melissa A. Skidmore ◽  
Craig M. Forsyth ◽  
Elena Mashkina ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electron Paramagnetic Resonance ◽  
Density Functional ◽  
Electrochemical Study ◽  
Paramagnetic Resonance ◽  
Functional Theory ◽  
Electron Paramagnetic
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