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Theoretical study of aluminum nitride nanotubes for chemical sensing of formaldehyde

✍ Scribed by Ali Ahmadi; Nasser L. Hadipour; Mohammad Kamfiroozi; Zargham Bagheri


Book ID
113905446
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
557 KB
Volume
161
Category
Article
ISSN
0925-4005

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Density functional theory (DFT) calculations were performed to investigate the properties of borondoped (B-doped) models of representative (4, 4) armchair and (6, 0) zigzag aluminum phosphide nanotubes (AlPNTs). Chemical shielding (CS) parameters were also calculated for the optimized structures. Th