70 citations · 167 across the 8 of their papers we have counts for
8 papers
Catenary-like rippled biphenylene/graphene lateral heterojunction
Victor M. S. da C. Dias, Danilo de P. Kuritza, Igor S. S. de Oliveira +2
In this study, we conduct a first-principles analysis to explore the structural and electronic properties of curved biphenylene/graphene lateral junctions (BPN/G). We start our inv…
Spin-polarized nearly-free electron channels on the CaN electrenes
P. H. Souza, J. E. Padilha, R. H. Miwa
Two-dimensional (2D) materials combined with the presence of surface nearly-free electrons (NFE) have been considered quite interesting platforms to be exploited for the developmen…
Bridging Borophene and Metal Surfaces: Structural, Electronic, and Electron Transport Properties
Wanderlã L. Scopel, F. Crasto de Lima, Pedro H. Souza +2
Currently, solid interfaces composed of two-dimensional materials (2D) in contact with metal surfaces (m-surf) have been the subject of intense research, where the borophene bilaye…
Oxidation of 2D electrenes: structural transition and the formation of half-metallic channels protected by oxide layers
Pedro H. Souza, Danilo Kuritza, José E. Padilha +1
Based on first-principles calculations we performed a systematic study of the energetic stability, structural characterization, and electronic properties of the fully oxidized $A_{…
Structural Transition in Oxidized CaN Electrenes: CaO/CaN 2D heterostructures
Pedro H. Souza, José E. Padilha, Roberto H. Miwa
Based on first-principles calculations we show that the oxidation of ultrathin films of CaN electrides, electrenes, drives a hexagonaltetragonal structural transit…
Quantum spin Hall effect on germanene nanoroad embedded in a completely hydrogenated germanene
L. Seixas, J. E. Padilha, A. Fazzio
We show that germanene nanoroads embedded in a completely hydrogenated germanene (germanane) exhibits a quantum spin Hall effect (QSHE). These nanoroads can be obtained experimenta…
Bilayer graphene dual-gate nanodevice: An ab initio simulation
J. E. Padilha, Matheus P. Lima, A. J. R. da Silva +1
We study the electronic transport properties of a dual-gated bilayer graphene nanodevice via first principles calculations. We investigate the electric current as a function of gat…
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…