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Chemisorption of NH3at the open ends of boron nitride nanotubes: a DFT study

✍ Scribed by Ali Ahmadi; Javad Beheshtian; Nasser L. Hadipour


Publisher
Springer
Year
2010
Tongue
English
Weight
398 KB
Volume
22
Category
Article
ISSN
1040-0400

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The adsorption of NO on the Si(1 1 1)-7 Γ‚ 7 surface has been investigated by means of hybrid density functional (B3LYP) cluster model calculations. It is shown that both monomeric and dimeric adspecies can be formed upon NO adsorption. The monomeric adspecies adopt bent configurations with the N-end