Band-gap modulation of C4H nanosheets by interlayer weak interaction and external electric field: a computational study

2016 ◽  
Vol 135 (4) ◽  
Author(s):  
Feng Li ◽  
Yafei Li
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
External Electric Field ◽  
Weak Interaction ◽  
Computational Study ◽  
Band Gap Modulation

Band gap modulation of Janus graphene nanosheets by interlayer hydrogen bonding and the external electric field: a computational study

2015 ◽  
Vol 3 (14) ◽  
pp. 3416-3421 ◽  
Author(s):  
Feng Li ◽  
Yafei Li
Keyword(s):  
Hydrogen Bonding ◽  
Electric Field ◽  
Band Gap ◽  
Electronic Properties ◽  
External Electric Field ◽  
Computational Study ◽  
Graphene Nanosheets ◽  
Band Gap Modulation

The electronic properties of hydrofluorinated graphene nanosheets can be efficiently modified by interlayer C–H⋯F–C hydrogen bonding.

Band-gap engineering of the h-BN/MoS2/h-BN sandwich heterostructure under an external electric field

2015 ◽  
Vol 48 (20) ◽  
pp. 205302 ◽  
Author(s):  
Zongyu Huang ◽  
Xiang Qi ◽  
Hong Yang ◽  
Chaoyu He ◽  
Xiaolin Wei ◽  
...  
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
External Electric Field ◽  
Band Gap Engineering

Tuning Electronic and Structural Properties of Triple Layers of Intercalated Graphene and Hexagonal Boron Nitride: An Ab-initio Study.

2011 ◽  
Vol 1307 ◽  
Author(s):  
Samir S. Coutinho ◽  
David L. Azevedo ◽  
Douglas S. Galvão
Keyword(s):  
Boron Nitride ◽  
Electric Field ◽  
Ab Initio ◽  
Band Gap ◽  
External Electric Field ◽  
Structural Properties ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Electronic And Structural Properties ◽  
Gap Values

ABSTRACTRecently, several experiments and theoretical studies demonstrated the possibility of tuning or modulating band gap values of nanostructures composed of bi-layer graphene, bi-layer hexagonal boron-nitride (BN) and hetero-layer combinations. These triple layers systems present several possibilities of stacking. In this work we report an ab initio (within the formalism of density functional theory (DFT)) study of structural and electronic properties of some of these stacked configurations. We observe that an applied external electric field can alter the electronic and structural properties of these systems. With the same value of the applied electric field the band gap values can be increased or decreased, depending on the layer stacking sequences. Strong geometrical deformations were observed. These results show that the application of an external electric field perpendicular to the stacked layers can effectively be used to modulate their inter-layer distances and/or their band gap values.

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