相关论文: Planar bridging an atomically precise surface tren…

We study the electronic structure of heterostructures formed by a graphene nanoribbon (GNR) and a transition metal dichalcogenides (TMD) monolayer using first-principles. We consider both semiconducting TMDs and metallic TMDs, and different…

By merging bottom-up and top-down strategies we tailor graphene's electronic properties within nanometer accuracy, which opens up the possibility to design optical and plasmonic circuitries at will. In a first step, graphene electronic…

The electronic and magnetic properties of varying width, oxygen-functionalized armchair graphene nanoribbons (AGNRs) are investigated using first-principles density functional theory (DFT). Our study shows that O-passivation results in a…

The construction of atomically-precise carbon nanostructures holds promise for developing novel materials for scientific study and nanotechnology applications. Here we show that graphene origami is an efficient way to convert graphene into…

Doped graphene emerges as a strong contender for active plasmonic material in the mid-infrared wavelengths due to the versatile external-control of its permittivity-function and also its highly-compressed graphene surface plasmon (GSP)…

Junctions composed of two crossed graphene nanoribbons (GNRs) have been theoretically proposed as electron beam splitters where incoming electron waves in one GNR can be split coherently into propagating waves in \emph{two} outgoing…

We investigate theoretically the performance advantages of all-graphene nanoribbon field-effect transistors (GNRFETs) whose channel and source/drain (contact) regions are patterned monolithically from a two-dimensional single sheet of…

We theoretically study the effect of transverse electric potentials on the transport properties of armchair graphene nanoribbons (AGNRs), formed by pairs of asymme-tric gates placed along the side of the ribbon. Single pair and dual pair…

We propose a new class of semiconducting graphene-based nanostructures: hydrogenated graphene nanoripples (HGNRs), based on continuum-mechanics analysis and first principles calculations. They are formed via a two-step combinatorial…

Graphene nanoribbons (GNRs) possess distinct symmetry-protected topological phases. We show, through first-principles calculations, that by applying an experimentally accessible transverse electric field (TEF), certain boron and nitrogen…

In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…

First-principles density-functional calculations are performed to investigate the thermal transport properties in graphene nanoribbons (GNRs). The dimensional crossover of thermal conductance from one to two dimensions (2D) is clearly…

From the moment atomic precision control of the growth process of graphene was achieved, more elaborated carbon allotropes were proposed opening new channels for flat optoelectronics at the nanoscale. A special type of this material…

It is a challenge to synthesize graphene nanoribbons (GNRs) with narrow widths and smooth edges in large scale. Our first principles study on the hydrogenation of GNRs shows that the hydrogenation starts from the edges of GNRs and proceeds…

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…

In cove-edged zigzag graphene nanoribbons (ZGNR-C), one terminal CH group per length unit is removed on each zigzag edge, forming a regular pattern of coves which controls their electronic structure. Based on three structural parameters…

Graphene is the first truly two-dimensional (2D) material, possessing a cone-like energy spectrum near the Fermi energy and treated as a gapless semiconductor. Its unique properties trigger researchers to find more applications of it, such…

The influence of substrate steps on the bottom-up synthesis of atomically precise graphene nanoribbons (GNRs) on an Au(111) surface is investigated. A straight surface step is found to promote the assembly of long and compact arrays of…

Graphene nanoribbons (GNRs) physisorbed on a Au(111) surface can be picked up, lifted at one end, and made slide by means of the tip of an atomic-force microscope. The dynamical transition from smooth sliding to multiple stick-slip regimes,…

We study the effect of the edge disorder on the conductance of the graphene nanoribbons (GNRs). We find that only very modest edge disorder is sufficient to induce the conduction energy gap in the otherwise metallic GNRs and to lift any…