The thermal conductivity of graphene nanoribbons (GNRs) has been investigatedusing equilibrium molecular dynamics (EMD) simulation based on Green-Kubo (GK)method to compare two interatomic potentials namely optimized Tersoff and 2nd generationReactive Empirical Bond Order (REBO). Our comparative study includes the estimation ofthermal conductivity as a function of temperature, l...

Graphene is a truly two-dimensional atomic crystal with exceptional electronic and mechanical properties. Whereas conventional bulk and thin-film materials have been studied extensively, the key mechanical properties of graphene, such as tearing and cracking, remain unknown, partly due to its two-dimensional nature and ultimate single-atom-layer thickness, which result in the breakdown of conve...

Three-dimensional (3D) hybrid layered materials receive a lot of attention because of their outstanding intrinsic properties and wide applications. In this work, the stability and electronic structure of three-dimensional graphene-MoS2 (3 DGM) hybrid structures are examined based on first-principle calculations. The results reveal that the 3 DGMs can easily self-assembled by graphene nanosheet ...

Contributing to the need for new graphene nanoribbon (GNR) structures that can be synthesized with atomic precision, we have designed a reactant that renders chiral (3,1)-GNRs after a multistep reaction including Ullmann coupling and cyclodehydrogenation. The nanoribbon synthesis has been successfully proven on different coinage metals, and the formation process, together with the fingerprints ...

Besides its interesting physical properties, graphene as a two-dimensional lattice of carbon atoms promises to realize devices with exceptional electronic properties, where freely suspended graphene without contact to any substrate is the ultimate, truly two-dimensional system. The practical realization of nano-devices from suspended graphene, however, relies heavily on finding a structuring me...

It has recently been shown that electronic transport in zigzag graphene nanoribbons becomes spin-polarized upon application of an electric field across the nanoribbon width. However, the electric fields required to experimentally induce this magnetic state are typically large and difficult to apply in practice. Here, using both first-principles density functional theory (DFT) and time-dependent...

The carbon nanotube and graphene nanoribbon band structure is derived using the two-band k · p method and shown to have a similar band structure as a III-V semiconductor. Contrary to a previous claim, it is shown that the tunnelling probability is lower for a graphene based semiconductor than for a III-V semiconductor with the same bandgap. Considering the relation between the bandgap and the e...

Graphene has drawn considerable attention due to its intriguing properties in photonics and optoelectronics. However, its interaction with light is normally rather weak. Meta-surfaces, artificial structures with single planar function-layers, have demonstrated exotic performances in boosting light-matter interactions, e.g., for absorption enhancement. Graphene based high efficiency absorber is ...

We perform a comparative study of the spin relaxation by spin-orbit coupling induced from adatoms (hydrogen and fluorine) in graphene. Two methods are applied, giving consistent results: a full quantum transport simulation of a graphene nanoribbon, and a T-matrix calculation using Green’s functions for a single adatom in graphene. For hydrogenated graphene the dominant spinorbit term for spin r...