177 citations · 856 across the 28 of their papers we have counts for
12 papers · 1 filter
Half-integer anomalous currents in 2D materials from a QFT viewpoint
D. Dudal, F. Matusalem, A. J. Mizher +2
Charge carriers in Dirac/Weyl semi-metals exhibit a relativistic-like behavior. In this work we propose a novel type of intrinsic half-integer Quantum Hall effect in 2D materials,…
Water-assisted electronic transport in graphene nanogaps for DNA sequencing
Ernane de Freitas Martins, Rodrigo G. Amorim, Gustavo Troiano Feliciano +2
Innovative methodologies for reliably and inexpensively sequencing DNA can lead to a new era of personalized medicine. In this work, we performed a theoretical investigation of a n…
Phase Transition and Electronic Structure Investigation of MoS-rGO Nanocomposite Decorated with AuNPs
Yunier Garcia-Basabe, Gabriela F. Peixoto, Daniel Grasseschi +5
In this work a simple approach to transform MoS from its metallic (1T' to semiconductor 2H) character via gold nanoparticle surface decoration of a MoS graphene oxide (rGO)…
Ab initio modelling of spin relaxation lengths in disordered graphene nanoribbons†
Wudmir Y. Rojas, Cesar E. P. Villegas, Alexandre R. Rocha
The spin-dependent transport properties of armchair graphene nanoribbons in the presence of extrinsic spin-orbit coupling induced by a random distribution of Nickel adatoms is stud…
Topological Line Defects around Graphene Nanopores for DNA Sequencing
Jariyanee Prasongkit, Ernane F. Martins, Fábio A. L. de Souza +5
Topological line defects in graphene represent an ideal way to produce highly controlled structures with reduced dimensionality that can be used in electronic devices. In this work…
Quantum Hall Effect in Graphene with Interface-Induced Spin-Orbit Coupling
Tarik P. Cysne, Jose H. Garcia, Alexandre R. Rocha +1
We consider an effective model for graphene with interface-induced spin-orbit coupling and calculate the quantum Hall effect in the low-energy limit. We perform a systematic analys…
Optical spectrum of bottom-up graphene nanoribbons: towards efficient atom-thick excitonic solar cells
Cesar E. P. Villegas, Pedro B. Mendonça, Alexandre Rocha
Recently, atomically well-defined cove-shaped graphene nanoribbons have been obtained using bottom-up synthesis. These nanoribbons have an optical gap in the visible range of the s…
Stretching of BDT-gold molecular junctions: thiol or thiolate termination?
Amaury de Melo Souza, Ivan Rungger, Renato Borges Pontes +4
It is often assumed that the hydrogen atoms in the thiol groups of a benzene-1,4-dithiol dissociate when Au-benzene-1,4-dithiol-Au junctions are formed. We demonstrate, by stabilit…
Energetics and stability of vacancies in carbon nanotubes
José Eduardo Padilha, Rodrigo Garcia Amorim, Alexandre Reily Rocha +2
In this work we present ab initio calculations of the formation energies and stability of different types of multi-vacancies in carbon nanotubes. We demonstrate that, as in the cas…
Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands
C. D. Pemmaraju, I. Rungger, X. Chen +2
The bias-dependent transport properties of short poly(G)-poly(C) A-DNA strands attached to Au electrodes are investigated with first principles electronic transport methods. By usi…
Disorder-based graphene spintronics
A. R. Rocha, T. B. Martins, A. Fazzio +1
The use of the spin of the electron as the ultimate logic bit - in what has been dubbed spintronics - can lead to a novel way of thinking about information flow. At the same time s…
The Smeagol method for spin- and molecular-electronics
A. R. Rocha, V. M. García-Suárez, S. Bailey +3
{\it Ab initio} computational methods for electronic transport in nanoscaled systems are an invaluable tool for the design of quantum devices. We have developed a flexible and effi…