Related papers: Quantum transport in graphene nanoribbon networks:…
We present theoretical simulations of the electronic properties of graphene-like two-dimensional (2D) carbon networks with a periodic arrangement of defect lines formed by alternating four- and eight-membered rings. These networks can be…
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…
The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green's function method combined with the density functional theory. The symmetry of the…
Modern microelectronic devices are composed of interfaces between a large number of materials, many of which are in amorphous or polycrystalline phases. Modeling such non-crystalline materials using first-principles methods such as density…
Graph Neural Networks (GNNs) are effective for processing graph-structured data but face challenges with large graphs due to high memory requirements and inefficient sparse matrix operations on GPUs. Quantum Computing (QC) offers a…
Using the non-equilibrium Keldysh Green's function formalism, we investigate the local, non-equilibrium charge transport in graphene nanoribbons (GNRs). In particular, we demonstrate that the spatial current patterns associated with…
Doping of semiconductor is necessary for various device applications. Exploiting chemistry at its reactive edges was shown to be an effective way to dope an atomically thin graphene nanoribbon (GNR) for realizing new devices in recent…
The unique ultra-relativistic, massless, nature of electron states in two-dimensional extended graphene sheets, brought about by the honeycomb lattice arrangement of carbon atoms in two-dimensions, provides ingress to explorations of…
The conductance of metallic graphene nanoribbons (GNRs) with single defects and weak disorder at their edges is investigated in a tight-binding model. We find that a single edge defect will induce quasi-localized states and consequently…
A simple model based on the divide and conquer rule and tight-binding (TB) approximation is employed for studying the role of finite size effect on the electronic properties of elongated graphene nanoribbon (GNR) heterojunctions. In our…
In this work we have studied the quantum statistical properties of the photon emitted from a driven microcavity embedded with a single armchair-edged graphene nanoribbon (GNR). The system is coherently pumped with weak laser amplitude.…
We investigate the combined influence of structural defects and uniaxial longitudinal strain on the electronic transport properties of armchair graphene nanoribbons using the numerical approach based on the semiempirical tight-binding…
We study the transport efficiency of excitations on complex quantum networks with loops. For this we consider sequentially growing networks with different topologies of the sequential subgraphs. This can lead either to a universal complete…
We present a machine learning method for swiftly identifying nanobubbles in graphene, crucial for understanding electronic transport in graphene-based devices. Nanobubbles cause local strain, impacting graphene's transport properties.…
Graphene nanoribbons display an imperfectly understood transport gap. We measure transport through nanoribbon devices of several lengths. In nanoribbons of length greater than or equal to 250 nm we observe transport through multiple quantum…
Accurate modeling of the pi-bands of armchair graphene nanoribbons (AGNRs) requires correctly reproducing asymmetries in the bulk graphene bands as well as providing a realistic model for hydrogen passivation of the edge atoms. The commonly…
We implement, optimize, and validate the linear-scaling Kubo-Greenwood quantum transport simulation on graphics processing units by examining resonant scattering in graphene. We consider two practical representations of the Kubo-Greenwood…
Quantum-dot states in graphene nanoribbons (GNR) were calculated using density-functional theory, considering the effect of the electric field of gate electrodes. The field is parallel to the GNR plane and was generated by an inhomogeneous…
If a device like a graphene nanoribbon (GNR) has all its four corners attached to electric current leads, the device becomes a quantum junction through which two electrical circuits can interact. We study such system theoretically for…
With nonequilibrium Green's function approach combined with density functional theory, we perform an ab initio calculation to investigate transport properties of graphene nanoribbon junctions self-consistently. Tight-binding approximation…