Enhancing single-parameter quantum charge pumping in carbon-based devices
We present a theoretical study of quantum charge pumping with a single ac gate applied to graphene nanoribbons and carbon nanotubes operating with low resistance contacts. By combining Floquet theory with Green's function formalism, we show that the pumped current can be tuned and enhanced by up to two orders of magnitude by an appropriate choice of device length, gate voltage intensity and driving frequency and amplitude. These results offer a promising alternative for enhancing the pumped currents in these carbon-based devices.
Curvature in graphene nanoribbons generates temporally and spatially focused electric currents
Today graphene nanoribbons and other graphene-based nanostructures can be synthesized with atomic precision. But while investigations have concentrated on straight graphene ribbons of fixed crystal orientation, ribbons with intrinsic curvature have remained mainly unexplored. Here, we investigate electronic transport in intrinsically curved graphene nanoribbons coupled to straight leads using two computational approaches. Stationary approach shows how transport gaps are affected both by the straight leads and by the degree of edge asymmetry in the curved ribbons. An advanced time-dependent approach shows that behind the façade of calm stationary transport the currents run violently: curvatu…
Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions
Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applicational and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density-functional tight-binding theory within the D'Amato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only single dephasing parameter. We investigated the length dependence and the inf…
Topological Signatures in the Electronic Structure of Graphene Spirals
Topology is familiar mostly from mathematics, but also natural sciences have found its concepts useful. Those concepts have been used to explain several natural phenomena in biology and physics, and they are particularly relevant for the electronic structure description of topological insulators and graphene systems. Here, we introduce topologically distinct graphene forms - graphene spirals - and employ density-functional theory to investigate their geometric and electronic properties. We found that the spiral topology gives rise to an intrinsic Rashba spin-orbit splitting. Through a Hamiltonian constrained by space curvature, graphene spirals have topologically protected states due to tim…
Nanoscale ear drum: graphene based nanoscale sensors.
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 electromechanical phenomena are required. More importantly, one demands that such nanoelectromechanical techniques could provide not only information about the mass of the target molecules but also about their geometrical properties. In this sense, we report a theoretical study that illustrates in detail how graphene membranes can operate as nanoelectromechanical mass-sensor devices. Wide graphene sheets were exposed to different types and amounts of molecul…
Optical and electronic properties of graphene nanoribbons upon adsorption of ligand-protected aluminum clusters
We have carried out first-principles calculations to investigate how the electronic and optical features of graphene nanoribbons are affected by the presence of atomic clusters. Aluminum clusters of different sizes and stabilized by organic ligands were deposited on graphene nanoribbons from which the energetic features of the adsorption plus electronic structure were treated within density-functional theory. Our results point out that, depending on their size and structure shape, the clusters perturb distinctively the electronic properties of the ribbons. We suggest that such selective response can be measured through optical means revealing that graphene nanoribbons can work as an efficie…
Dynamic and electronic transport properties of DNA translocation through graphene nanopores
Graphene layers have been targeted in the last years as excellent host materials for sensing a remarkable variety of gases and molecules. Such sensing abilities can also benefit other important scientific fields such as medicine and biology. This has automatically led scientists to probe graphene as a potential platform for sequencing DNA strands. In this work, we use robust numerical tools to model the dynamic and electronic properties of molecular sensor devices composed of a graphene nanopore through which DNA molecules are driven by external electric fields. We performed molecular dynamic simulations to determine the relation between the intensity of the electric field and the transloca…