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Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3750-4
Abstract: Aluminum nitride nanotubes (AlNNTs) doped by the excess electron, e@AlNNT and M@N-AlNNT (M = Li, Na, K), have been designed and their geometrical, electronic, and nonlinear optical (NLO) properties have been explored theoretically. The results showed that…
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Keywords:
aluminum nitride;
excess electron;
doped excess;
nitride nanotubes ... See more keywords