相关论文: A comparative study of two molecular mechanics mod…

We investigate the electronic and optical properties of lateral heterostructures made of alternated armchair ribbons of graphene and hexagonal boron nitride. It is known that the gapwidth of these heterostructures can be classified into…

We describe the results of atomic-level stick-slip friction measurements performed on chemically-modified graphite, using atomic force microscopy (AFM). Through detailed molecular dynamics simulations, coarse-grained simulations, and…

The spin-dependent transport properties of armchair graphene nanoribbons in the presence of extrinsic spin-orbit coupling induced by a random distribution of Nickel adatoms is studied. By combining a recursive Green's function formalism…

In this work, fundamental results for carrier statistics in graphene 2-dimensional sheets and nanoscale ribbons are derived. Though the behavior of intrinsic carrier densities in 2d graphene sheets is found to differ drastically from…

Using a model Hamiltonian approach including electron-electron interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is…

In contrast with the diversity of materials found in nature, most robots are designed with some combination of aluminum, stainless steel, and 3D-printed filament. Additionally, robotic systems are typically assumed to follow basic…

Graphene nanostrips with single or a few layers can be made into bending resonators with extremely high sensitivity to environment changes. In this work we study the effect of interlayer shear on resonant frequencies f of graphene…

Heterostructures made by stacking different materials on top of each other are expected to exhibit unusual properties and new phenomena. Interface of the heterostructures plays a vital role in determining their properties. Here, we report…

Developing a deep understanding of macroscopic mechanical properties of amorphous systems which lack structural periodicity, has posed a key challenge, not only at the level of theory but also in molecular simulations. Despite significant…

Magnetic carbon nanostructures are currently under scrutiny for a wide spectrum of applications. Here, we theoretically investigate armchair graphene nanoribbons patterned with asymmetric edge extensions consisting of laterally fused…

Nanostructures exhibit unusual properties due to the dominance of quantum mechanical effects. In addition, the geometry of a nanostructure can have a strong influence on its physical properties. Using the tight-binding (TB) and…

We investigate bilayers of nanoporous graphene (NPG), laterally bonded carbon nanoribbons, and graphene. The electronic and transport properties are explored as a function of the interlayer twist angle using an atomistic tight-binding model…

The difficulty in determining the mass of a sample increases as its size diminishes. At the nanoscale, there are no direct methods for resolving the mass of single molecules or nanoparticles and so more sophisticated approaches based on…

This dissertation presents a new coupled electro-mechanical model that is an improvement on the classical parallel-plate approximation. The model employs a hyperbolic function to account for the beam deformed shape and electrostatic field.…

We investigate electronic transport in lithographically patterned graphene ribbon structures where the lateral confinement of charge carriers creates an energy gap near the charge neutrality point. Individual graphene layers are contacted…

An ordinary state-based peridynamic material model is proposed for single sheet graphene. The model is calibrated using coarse grained molecular dynamics simulations. The coarse graining method allows the dependence of bond force on bond…

In this Letter, we investigate the strain-induced band-gap modulation of both armchair and zigzag graphane nanoribbons based on the first-principles calculations. Within the elastic range, the band gap changes linearly with the uniaxial…

We investigate etched single-layer graphene nanoribbons with different widths ranging from 30 to 130 nm by confocal Raman spectroscopy. We show that the D-line intensity only depends on the edge-region of the nanoribbon and that…

We propose a generic model to describe the mechanical response and failure of systems which undergo a series of stick-slip events when subjected to an external load. We model the system as a bundle of fibers, where single fibers can…

We study the electronic states of narrow graphene ribbons (``nanoribbons'') with zigzag and armchair edges. The finite width of these systems breaks the spectrum into an infinite set of bands, which we demonstrate can be quantitatively…