Density functional theory study of ultrasmall diameter (2,2) boron nitride, silicon carbide, and carbon nanotubes

2012 ◽  
Vol 249 (5) ◽  
pp. 1027-1032 ◽  
Author(s):  
Davoud Vahedi Fakhrabad ◽  
Tayebeh Movlarooy ◽  
Nasser Shahtahmassebi
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional Theory ◽  
Silicon Carbide ◽  
Boron Nitride ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

Computational studies on the interactions of glycine amino acid with graphene, h-BN and h-SiC monolayers

2017 ◽  
Vol 19 (3) ◽  
pp. 1896-1908 ◽  
Author(s):  
H. Tavassoli Larijani ◽  
M. Jahanshahi ◽  
M. Darvish Ganji ◽  
M. H. Kiani
Keyword(s):  
Density Functional Theory ◽  
Silicon Carbide ◽  
Amino Acid ◽  
Boron Nitride ◽  
Dft Calculations ◽  
Density Functional ◽  
Computational Studies ◽  
Functional Theory ◽  
Zwitterionic Form ◽  
Hexagonal Sheets

In the present work, the adsorption of glycine amino acid and its zwitterionic form onto three different hexagonal sheets, namely graphene, boron-nitride (h-BN) and silicon carbide (h-SiC), has been investigated within the framework of density functional theory (DFT) calculations.

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