相关论文: Negative Poisson's Ratio in Single-Layer Graphene …

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…

Graphene is a promising material for sensing applications because of its large specific surface area and low noise. In many applications, graphene will inevitably be in contact with oxygen since it is the second most abundant gas in the…

Stacking graphene sheets forms graphite. Two in-plane vibrational modes of graphite, E1u and E2g(2), are derived from graphene E2g mode, the shifts of which under compression are all considered as results of in-plane bond shortening. Values…

We present first-principles calculations of quantum transport in chemically doped graphene nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is shown to yield resonant backscattering, whose features are…

Spatially nonuniform strain is important for engineering the pseudomagnetic field and band structure of graphene. Despite the wide interest in strain engineering, there is still a lack of control on device-compatible strain patterns due to…

Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its…

We theoretically investigate negative differential resistance (NDR) for ballistic transport in semiconducting armchair graphene nanoribbon (aGNR) superlattices (5 to 20 barriers) at low bias voltages V_SD < 500 mV. We combine the graphene…

The common sense regarding twisting or untwisting a ribbon is that it requires the application of an external rotation to happen. However, at nanoscale, the application of precise amounts of rotation on a nanoribbon is not a trivial task.…

A remarkable theoretical prediction for a crystalline (polymerized) surface is that its Poisson ratio (\sigma) is negative. Using a large scale Monte Carlo simulation of a simple model of such surfaces we show that this is indeed true. The…

We report a three-dimensional mechanical metamaterial that simultaneously possesses negative stiffness, negative bulk modulus, and negative Poisson's ratio. This metamaterial is a periodic arrangement of binder-shell elements. Under…

Due to its strong bonds graphene can stretch up to 25% of its original size without breaking. Furthermore, mechanical deformations lead to the generation of pseudo-magnetic fields (PMF) that can exceed 300 T. The generated PMF has opposite…

We use density functional theory to determine the equilibrium shape of graphene flakes, through the calculation of the edge orientation dependence of the edge energy and edge stress of graphene nanoribbons. The edge energy is a nearly…

Graphene nanoribbons (GNR) in mutually perpendicular electric and magnetic fields are shown to exhibit dramatic changes in their band structure and electron transport properties. A strong electric field across the ribbon induces multiple…

We study the mechanism of wrinkling of suspended graphene, by means of atomistic simulations. We argue that the structural instability under edge compression is the essential physical reason for the formation of periodic ripples in…

Interface strain can significantly influence the mechanical, electronic and magnetic properties of low-dimensional materials. Here we investigated by scanning tunneling microscopy how the stress introduced by a mismatched interface affects…

We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…

A mechanism of negative compressibility occurring in compressed layered compounds in the presence of a pressure transmitting fluid medium is discussed within a simple model. It takes into account the excluded volume effects and soft…

Graphene nanomeshes (GNMs) are novel materials that recently raised a lot of interest. They are fabricated by forming a lattice of pores in graphene. Depending on the pore size and pore lattice constant, GNMs can be either semimetallic or…

On-surface synthesis enables the fabrication of graphene nanoribbons (GNRs) with atomic precision, allowing their electronic, optical, and magnetic properties to be tuned by engineering edge structure and width. Progress on the synthesis of…

Efforts to modulate the electronic properties of atomically thin crystalline nanoribbons requires precise control over their morphology. Here, we perform atomistic simulations on freestanding graphene nanoribbons (GNRs) to first identify…