Related papers: Quasiparticle bandgap engineering of graphene and …
This paper presents a systematic study of two and one dimensional honeycomb structure of boron nitride (BN) using first-principles plane wave method. Two-dimensional (2D) graphene like BN is a wide band gap semiconductor with ionic bonding.…
The field of topological mechanics has recently emerged due to the interest in robustly transporting various types of energy in a flaw and defect-insensitive fashion. While there have been a significant number of studies based on…
Graphene plasmons were predicted to possess ultra-strong field confinement and very low damping at the same time, enabling new classes of devices for deep subwavelength metamaterials, single-photon nonlinearities, extraordinarily strong…
Spontaneous orbital magnetism observed in twisted bilayer graphene (tBG) on nearly aligned hexagonal boron nitride (BN) substrate builds on top of the electronic structure resulting from combined G/G and G/BN double moire interfaces. Here…
We use density functional theory based first-principles method to investigate the bandstructure and phase stability in the laterally grown hexagonal C$_x$(BN)$_{1-x}$, two-dimensional Graphene and $h$-BN hybrid nanomaterials, which were…
Most popular atomically thin carbon material, called graphene, has got no band gap and this particular property of graphene makes it less useful from the aspect of nanoscale transistor devices. The band gap can be introduced in the graphene…
We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green's function approach within the GW approximation. Because of the quasi-one-dimension…
We report on the configurations and electronic properties of graphyne and graphdiyne nanoribbons with armchair and zigzag edges investigated with first principles calculations. Our results show that all the nanoribbons are semiconductors…
Graphene is considered to be a promising candidate for future nano-electronics due to its exceptional electronic properties. Unfortunately, the graphene field-effect-transistors (FETs) cannot be turned off effectively due to the absence of…
Graphene nanoribbons (GNRs) with widths of a few nanometres are promising candidates for future nano-electronic applications due to their structurally tunable bandgaps, ultrahigh carrier mobilities, and exceptional stability. However, the…
Aiming to improve fabrication protocols for boron nitride and graphene (h-BNG) lateral heterostructures, we studied the growth of h-BNG thin films on platinum and their behavior in an oxygen environment. We employed a surface science…
We study the stability and electronic structure of magic-angle twisted bilayer graphene on the hexagonal boron nitride (TBG/BN). Full relaxation has been performed for commensurate supercells of the heterostructures with different twist…
In their first-principles calculations of the electronic band structure of graphene under uniaxial strain, Gui, Li, and Zhong [Phys. Rev. B \textbf{78}, 075435 (2008)] have found opening of band gaps at the Fermi level. This finding is in…
Photoemission studies of graphene have resulted in a long-standing controversy concerning the strength of the experimental electron-phonon interaction in comparison with theoretical calculations. Using high-resolution angle-resolved…
In this article, we have theoretically investigated the performance of graphene-hexagonal Boron Nitride hyper crystals to demonstrate all angle negative refraction.Hexagonal Boron Nitride, the latest natural hyperbolic material; can be a…
Understanding water behaviour on 2D materials is crucial for sensing, microfluidics, and tribology. While water/graphene interactions are well studied, water on hexagonal boron nitride (h-BN) remains largely unexplored. Despite structural…
We investigate the adsorption of graphene sheets on h-BN substrates by means of first-principles calculations in the framework of adiabatic connection fluctuation-dissipation theory in the random phase approximation. We obtain adhesion…
The electronic properties of two-dimensional materials such as graphene are extremely sensitive to their environment, especially the underlying substrate. Planar van der Waals bonded substrates such as hexagonal boron nitride (hBN) have…
The van der Waals heterostructures of two-dimensional (2D) atomic crystals constitute a new paradigm in nanoscience. Hybrid devices of graphene with insulating 2D hexagonal boron nitride (h-BN) have emerged as promising nanoelectronic…
Graphene is an ideal 2D material system bridging electronic and photonic devices. It also breaks the fundamental speed and size limits by electronics and photonics, respectively. Graphene offers multiple functions of signal transmission,…