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A computational study of gallium phosphide nanotubes

โœ Scribed by Maryam Mirzaei; Mahmoud Mirzaei

Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
191 KB
Volume
43
Category
Article
ISSN
1386-9477

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## Abstract For Abstract see ChemInform Abstract in Full Text.

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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