A theoretical study of boron-doped alumi
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Maryam Mirzaei; Mahmoud Mirzaei
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Article
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2011
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Elsevier
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English
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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