On the microscopic origin of bending of graphene nanoribbons in the presence of a perpendicular electric field.
نویسندگان
چکیده
Herein, we predict that graphene nanoribbons will be nonplanar under the influence of a critical perpendicular field. Our investigation demonstrates that the perpendicular field induces mixing of σ and π orbitals in graphene nanoribbons through the second order Stark effect which eventually modulates the electron-nuclear interaction strongly in favor of a bent structure.
منابع مشابه
Electronic and Optical Properties of the Graphene and Boron Nitride Nanoribbons in Presence of the Electric Field
Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...
متن کاملAlignment of graphene nanoribbons by an electric-field
In this paper, we develop an analytical approach to predict the field-induced alignment of cantilevered graphene nanoribbons. This approach is validated through molecular simulations using a constitutive atomic electrostatic model. Our results reveal that graphene’s field-oriented bending angle is roughly proportional to the square of field strength or the graphene length for small deformations...
متن کاملSuppression of 1/f noise in near-ballistic h-BN-graphene-h-BN heterostructure field- effect transistors
Articles you may be interested in Microscopic origin of low frequency noise in MoS2 field-effect transistors Large on/off current ratio in hybrid graphene/BN nanoribbons by transverse electric field-induced control of bandgap Appl. 1 ∕ f noise in Ga N ∕ Al Ga N heterostructure field-effect transistors in high magnetic fields at 300 K
متن کاملElectronic properties of hydrogenated porous Graphene based nanoribbons: A density functional theory study
The structural and electronic properties of the hydrogenated porous graphene nanoribbons were studied by using density functional theory calculations. The results show that the hydrogenated porous graphene nanoribbons are energetically stable. The effects of ribbon type and ribbon width on the electronic properties of these nanoribbons were investigated. It was found that both armchair and zigz...
متن کاملSpin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes
We study the coherent spin-polarized transport through a zigzag-edge graphene flake (ZGF), using Hubbard model in the nearest neighbor approximation within the framework of the Green function’s technique and Landauer formalism. The system considered consists of electrode/ (ZGF)/electrode, in which the electrodes are chosen to be armchair nanoribbons. The study was performed for two types of ele...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 14 26 شماره
صفحات -
تاریخ انتشار 2012