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Wiliam Ferreira da Cunha

Publications and source records attributed to Wiliam Ferreira da Cunha.

2 recordsLinked to original sources

Charge Transport Mechanism in Chevron--Graphene Nanoribbons

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 presenting a V-shape (or "kinked" pattern) was recently synthesized and named Chevron-graphene nanoribbons (C-GNRs). To realize the reach of C--GNRs in developing new applications, the formation, and transport of charge carriers in their lattices should be primarily understood. Here, we investigate the static and dynamical properties of quasiparticles in C-GNRs. We study the effects of electron-phonon coupling and doping on the system. We also determine the kind of charge carriers present in C--GNR. It is observed that a phase transition occurs between a delocalized regime of conduction and regimes mediated by charge carriers. Such a phase transition is highly dependent on the doping concentration. Remarkably, crucial differences from the transport in standard graphene nanoribbons are identified. These factors are noted to have a profound impact on the mobility on the system which, in turn, should decisively impact the performance of electronic devices based on C-GNRs.

cond-mat.mtrl-sci↗

Fitting potential energy surface of reactive system via genetic algorithm

In this work, we present a new fitting of the Na+HF potential energy surface (PES) utilizing a new optmization method based in Genetic Algorithm. Topology studies, such as isoenergetic contours and Minimum Energy Path(MEP), show that the quality of this new PES is comparable to the best PES of literature. These facts, suggests that this new approach can be utilized as new tool to fit PES of reactive systems.

physics.comp-ph↗