scholarly journals Structural and electronic properties of a large-scale Moiré pattern of hexagonal boron nitride on Cu(111) studied with density functional theory

Nanoscale ◽  
2013 ◽  
Vol 5 (12) ◽  
pp. 5589 ◽  
Author(s):  
Ralph Koitz ◽  
Ari P Seitsonen ◽  
Marcella Iannuzzi ◽  
Jürg Hutter
Keyword(s):  
Density Functional Theory ◽  
Boron Nitride ◽  
Electronic Properties ◽  
Density Functional ◽  
Large Scale ◽  
Hexagonal Boron Nitride ◽  
Functional Theory ◽  
Moire Pattern ◽  
Moiré Pattern ◽  
Structural And Electronic Properties

Line defects and induced doping effects in graphene, hexagonal boron nitride and hybrid BNC

2014 ◽  
Vol 16 (39) ◽  
pp. 21473-21485 ◽  
Author(s):  
Narjes Ansari ◽  
Fariba Nazari ◽  
Francesc Illas
Keyword(s):  
Density Functional Theory ◽  
Boron Nitride ◽  
Electronic Properties ◽  
Atomic Structure ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Two Dimensional ◽  
Functional Theory ◽  
Doping Effects ◽  
Line Defects

Effects on the atomic structure and electronic properties of two-dimensional graphene (G) and h-BN sheets related to the coexistence of dopants and defects are investigated by using density functional theory based methods.

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