14 documents found, page 1 of 2
Electrochemical atomic layer epitaxy deposition of ultrathin SnTe films.
Manhabosco, Taíse Matte; Aloni, Shaul; Kuykendall, Tevye R.; Manhabosco, Sara Matte; Batista, Ana Bárbara; Soares, Jaqueline dos SantosTin telluride (SnTe) ultrathin films were deposited electrochemically on polycrystalline and monocrystalline gold substrates using the electrochemical atomic layer epitaxy (ECALE) method. The electrochemical behaviors of Sn and Te were studied systematically by means of cyclic voltammetry. Cyclic voltammetry curves for Sn displayed a broad peak in the region between -0.15 V and -0.35 V, which was related to the...
Raman evidence for pressure-induced formation of diamondene.
Martins, Luiz Gustavo Pimenta; Matos, Matheus Josué de Souza; Paschoal, Alexandre R.; Freire, Paulo T. C.; Andrade, Nádia Ferreira deDespite the advanced stage of diamond thin-film technology, with applications ranging from superconductivity to biosensing, the realization of a stable and atomically thick two-dimensional diamond material, named here as diamondene, is still forthcoming. Adding to the outstanding properties of its bulk and thin-film counterparts, diamondene is predicted to be a ferromagnetic semiconductor with spin polarized ba...
Crystal-oriented wrinkles with origami-type junctions in few-layer hexagonal bo...
Oliveira, Camilla Karla Brites Queiroz Martins de; Gomes, Egleidson Frederik do Amaral; Prado, Mariana C.; Alencar, Thonimar V.; Nascimento, Regiane doUnderstanding layer interplay is the key to utilizing layered heterostructures formed by the stacking of different two-dimensional materials for device applications. Boron nitride has been demonstrated to be an ideal substrate on which to build graphene devices with improved mobilities. Here we present studies on the morphology and optical response of annealed few-layer hexagonal boron nitride flakes deposited ...
Molecular dynamics simulations of momentum and thermal diffusion properties of ...
Nichele, Jakler; Borges Júnior, Itamar; Oliveira, Alan Barros de; Alves, Leonardo Santos de BritoThree basic diffusion properties of argon – shear viscosity, bulk viscosity and thermal conductivity – were studied in the neighborhood of the critical point using molecular dynamics (MD) and the Lennard-Jones potential energy function. MD simulations were performed along the 1.0Pc and 1.2Pc isobars. Green-Kubo relations and a Lennard Jones pair potential were used. Four different sets of Lennard-Jones paramete...
A simple model for solute–solvent separation through nanopores based on core-so...
Vasconcelos, Cláudia Karina Barbosa de; Batista, Ronaldo Junio Campos; Régis, McGlennon da Rocha; Manhabosco, Taíse Matte; Oliveira, Alan Barros deWe propose an effective model for solute separation from fluids through reverse osmosis based on core-softened potentials. Such potentials have been used to investigate anomalous fluids in several situations under a great variety of approaches. Due to their simplicity, computational simulations become faster and mathematical treatments are possible. Our model aims to mimic water desalination through nano-membra...
Vibrational G peak splitting in laterally functionalized single wall carbon nan...
Oliveira, Alan Barros de; Chacham, Helio; Soares, Jaqueline dos Santos; Manhabosco, Taíse Matte; Resende, Hélio Fernando Verona deWe present a theoretical study of the vibrational spectrum, in the G band region, of laterally hydrogenated single wall carbon nanotubes through molecular dynamics simulations. We find that bilateral hydrogenation e which can be induced by hydrogenation under lateral strain e causes permanent oval deformations on the nanotubes and induces the splitting of vibrational states in the G-band region. We propose that...
Effects of the attractive interactions in the thermodynamic, dynamic, and struc...
Silva, Jonathas Nunes da; Salcedo, Evy; Oliveira, Alan Barros de; Barbosa, Márcia Cristina BernardesUsing molecular dynamic simulations, we study a system of particles interacting through a continuous core-softened potentials consisting of a hard core, a shoulder at closest distances, and an attractive well at further distance. We obtain the pressure–temperature phase diagram of this system for various depths of the tunable attractive well. Since this is a two length scale potential, density, diffusion, and s...
Diffusion enhancement in core-softened fluid confined in nanotubes.
Bordin, José Rafael; Oliveira, Alan Barros de; Diehl, Alexandre; Barbosa, Márcia Cristina BernardesWe study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the density and in the diffusion of liquid water. A series of NpT molecular dynamics simulations for this two length scales fluid confined in a nanotube were performed. We obtain that the diffusion c...
Dynamics of the contact between a ruthenium surface with a single nanoasperity ...
Oliveira, Alan Barros de; Fortini, Andrea; Buldyrev, Sergey V.; Srolovitz, DavidWe study the dynamics of the contact between a pair of surfaces (with properties designed to mimic ruthenium) via molecular dynamics simulations. In particular, we study the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface. The results of such simulations suggest that contact behavior is highly variable. The goal of this study is to investigate the source and degree of...
Entropy, diffusivity and the energy landscape of a waterlike fluid.
Oliveira, Alan Barros de; Salcedo, Evy; Chakravarty, Charusita; Barbosa, Márcia Cristina BernardesMolecular dynamics simulations and instantaneous normal mode _INM_ analysis of a fluid with core-softened pair interactions and waterlike liquid-state anomalies are performed to obtain an understanding of the relationship between thermodynamics, transport properties, and the potential energy landscape. Rosenfeld scaling of diffusivities with the thermodynamic excess and pair correlation entropy is demonstrated ...