Control of Oxygen Impurity by Boron Evaporation.
نویسندگان
چکیده
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density functional theory (dft) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (qcc) parameters of armchair and zigzagboron nitride nanotubes (bnnts). optimization processes have been performed to relax the original andimpure structures of the investigated bnnts. afterwards, the qcc parameters have been evaluated...
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ژورنال
عنوان ژورنال: SHINKU
سال: 1992
ISSN: 0559-8516,1880-9413
DOI: 10.3131/jvsj.35.642