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
β¦ LIBER β¦
A computational study of silicon-doped aluminum phosphide nanotubes
β Scribed by Maryam Mirzaei; Azadeh Aezami; Mahmoud Mirzaei
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 308 KB
- Volume
- 406
- Category
- Article
- ISSN
- 0921-4526
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