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Adsorption of H, NHx, BHx and BBrx on a (110) surface of c-BN: A quantum-mechanical DFT study

✍ Scribed by Arvidsson, I.; Larsson, K.


Book ID
118740630
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
412 KB
Volume
16
Category
Article
ISSN
0925-9635

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First principles study of Na adsorption
✍ M. A. San Miguel; C. J. Calzado; Javier FernΓ‘ndez Sanz πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 220 KB πŸ‘ 2 views

The activation of the 110 TiO rutile surface by deposition of alkali 2 metal atoms has been the subject of some recent experimental studies. These results indicate a reduction of the surface when sodium atoms are deposited on it. In the present work, this process has been studied by means of ab init