Related papers: Molecular Dynamics Analysis of Graphene-Based Nano…
Thermal management is an important challenge in modern electronics, avionics, automotive, and energy storage systems. While passive thermal solutions (like heat sinks or heat spreaders) are often used, actively modulating heat flow (e.g.…
Future multi-functional hybrid devices might combine switchable molecules and 2D material-based devices. Spin-crossover compounds are of particular interest in this context since they exhibit bistability and memory effects at room…
The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional…
We report measurements of the non-equilibrium electron energy distribution in carbon nanotubes. Using tunneling spectroscopy via a superconducting probe, we study the shape of the local electron distribution functions, and hence energy…
Hybrid nanocomposites can offer a wide range of opportunities to control the light-matter interac- tion and electromagnetic energy flow at the nanoscale, leading to exotic optoelectronic devices. We study theoretically the dipole-dipole…
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…
Usually, graphene is used in its horizontal directions to design novel concept devices. Here, we report a single electron tunneling diode based on quantum tunneling through a vertical graphene two-barrier junction. The junction is formed by…
The interaction between carbon nanostructures like quantum dots and radiation can generate different effects inside the nanomaterial, with the use of computational methods such effects can be predicted and optimize the material allowing a…
To assist the design of novel, highly efficient molecular junctions, a deep understanding of the precise charge transport mechanisms through these devices is of prime importance. In the present contribution, we describe a procedure to…
The ability of graphene to support long-lived, electrically tunable plasmons that interact strongly with light, combined with its highly nonlinear optical response, has generated great expectations for application of the atomically-thin…
We demonstrate that free graphene sheet edges can curl back on themselves,reconstructing as nanotubes. This results in lower formation energies than any other non-functionalised edge structure reported to date in the literature. We…
Gate-tunable transmon qubits are based on quantum conductors used as weak links within hybrid Josephson junctions. These gatemons have been implemented in just a handful of systems, all relying on extended conductors, namely epitaxial…
Controlling spin current and magnetic exchange coupling by applying an electric field and achieving high spin injection efficiency at the same time in a nanostructure coupled to ferromagnetic electrodes have been the outstanding challenges…
The quantum Hall effect is a remarkable manifestation of quantized transport in a two-dimensional electron gas. Given its technological relevance, it is important to understand its development in realistic nanoscale devices. In this work we…
In this study, we investigate both experimentally and computationally the molecular interactions of two distinct polymers with graphene. Our experimental findings indicate that the use of a polymer mixture reduces the transfer induced…
Single-molecule sensing is at the core of modern biophysics and nanoscale science, from revolutionizing healthcare through rapid, low-cost sequencing to understanding various physical, chemical, and biological processes at their most basic…
Several experiments have recently found room-temperature ferromagnetism in graphite-like carbon based materials. This paper offers a model explaining such ferromagnetism by using an asymmetric nano-graphene. Our first typical model is…
The electronic properties of the wormhole and the perturbed nanocylinder will be investigated using two different methods: the continuum gauge field-theory model which deals with the contin- uum approximation of the surface and the Haydock…
The formation of atomic nanoclusters on suspended graphene sheets have been investigated by employing a Molecular dynamics simulation at finite temperature. Our systematic study is based on temperature dependent Molecular dynamics…
Magnetic properties of graphenic carbon nanostructures, relevant for future spintronic applications, depend crucially on doping and on the presence of defects. In this paper we study the magnetism of the recently detected substitutional Ni…