相关论文: Rupture of amorphous graphene via void formation

Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform…

The study of vacancies in graphene is a topic of growing interest. A single vacancy induces a localized stable charge of order unity interacting with other charges of the conductor through an unscreened Coulomb potential. It also breaks the…

Graphene's intrinsically corrugated and wrinkled topology fundamentally influences its electronic, mechanical, and chemical properties. Experimental techniques allow the manipulation of pristine graphene and the controlled production of…

We delineate a general theoretical framework to determine the substrate-regulated graphene morphology through energy minimization. We then apply such a framework to study the graphene morphology on a substrate with periodic surface grooves.…

Hexagonal layered crystalline materials, such as graphene, boron nitride, tungsten sulfate, and so on, have attracted enormous attentions, due to their unique combination of atomistic structures and superior thermal, mechanical, and…

The surface tension $\sigma$ of free-standing graphene is studied by path-integral simulations as a function of the temperature and the in-plane stress. Even if the applied stress vanishes, the membrane displays a finite surface tension…

The properties of suspended graphene are currently attracting enormous interest, but the small size of available samples and the difficulties in making them severely restrict the number of experimental techniques that can be used to study…

We investigate the effect of strain and isotopic disorder on thermal transport in suspended graphene by equilibrium molecular dynamics simulations. We show that the thermal conductivity of unstrained graphene, calculated from the…

Friction is a ubiquitous phenomenon that greatly affects our everyday lives and is responsible for large amounts of energy loss in industrialised societies. Layered materials such as graphene have interesting frictional properties and are…

Control of nucleation sites is an important goal in materials growth: nuclei in regular arrays may show emergent photonic or electronic behavior, and once the nuclei coalesce into thin films, the nucleation density influences parameters…

Suspended graphene exhibits ripples of size ranging from 50 to 100 {\AA} and height $\sim$10{\AA}, however, their origin remains undetermined. Previous theoretical works have proposed that rippling in graphene might be generated by the…

We investigate the effects of uniaxial strain on the transport properties of vertical devices made of two twisted graphene layers, which partially overlap each other. We find that because of the different orientations of the two graphene…

The thermo-mechanical coupling mechanism of graphene fracture under thermal gradients possesses rich applications whereas is hard to study due to its coupled non-equilibrium nature. We employ non-equilibrium molecular dynamics to study the…

Using calculations on defective graphene from first principles, we herein consider the dependence of the properties of the monovacancy of graphene under isotropic strain, with a particular focus on spin moments. At zero strain, the vacancy…

We introduce a new scheme to realize suspended, multi-terminal graphene structures that can be current annealed successfully to obtain uniform, very high quality devices. A key aspect is that the bulky metallic contacts are not connected…

Defects in solid commonly limit mechanical performance of the material. However, recent measurements reported that the extraordinarily high strength of graphene is almost retained with the presence of grain boundaries. We clarify in this…

Buckling is one of the most common phenomena in atomic-thick layered structures like graphene. While the buckling phenomenon usually causes disaster for most nano-devices, we illustrate one positive application of the buckled graphene for…

Based on first-principles calculations, we resent a method to reveal the elastic properties of recently synthesized monolayer hydrocarbon, graphane. The in-plane stiffness and Poisson's ratio values are found to be smaller than those of…

One-dimensional defects in graphene have strong influence on its physical properties, such as electrical charge transport and mechanical strength. With enhanced chemical reactivity, such defects may also allow us to selectively…

Under the application of a force, a material will deform and, hence, the crystal lattice will experience strain. This induced strain will alter the electronic properties of the material. In particular, strain in graphene generates an…