Publications by authors named "Antonio H Castro Neto"

We have investigated the lithium capacity of the 2 phase of niobium sulfide (NbS) using density functional theory calculations and experiments. Theoretically, this material is found to allow the intercalation of a double layer of Li in between each NbS layer when in equilibrium with metal Li. The resulting specific capacity (340.

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Corrosion is one of the major issues for sustainable manufacturing globally. The annual global cost of corrosion is US$2.5 trillion (approximately 3.

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We describe an approach based on non-equilibrium molecular dynamics (NEMD) simulations to calculate the ionic mobility of solid ion conductors such as solid electrolytes from first-principles. The calculations are carried out in finite slabs of the material, where an electric field is applied and the dynamic response of the mobile ions is measured. We compare our results with those obtained from diffusion calculations, under the non-interacting ion approximation, and with experiment.

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Graphene-based samples have shown a plethora of exotic characteristics and these properties may help the realization of a new generation of fast electronic devices. However, graphene's centrosymmetry prohibits second-order electronic transport. Here, we show giant second-order nonlinear transports in graphene moiré superlattices at zero magnetic field, both longitudinal and transverse to the applied current direction.

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We demonstrate a fabrication procedure of hybrid devices that consist of reduced graphene oxide films supported by porous polymer membranes that host ionic solutions. We find that we can control the thermal radiation from the surface of reduced graphene oxide through a process of electrically driven reversible ionic intercalation. Through a comparative analysis of the structural, chemical, and optical properties of our reduced graphene oxide films, we identify that the dominant mechanism leading to the intercalation-induced reduction of light emission is Pauli blocking of the interband recombination of charge carriers.

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A class of compounds sharing the properties of 2D materials and electrolytes, namely 2D electrolytes is described theoretically and demonstrated experimentally. 2D electrolytes dissociate in different solvents, such as water, and become electrically charged. The chemical and physical properties of these compounds can be controlled by external factors, such as pH, temperature, electric permittivity of the medium, and ionic concentration.

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We show that the degree of oxidation of graphene oxide (GO) can be obtained by using a combination of state-of-the-art ab initio computational modeling and X-ray photoemission spectroscopy (XPS). We show that the shift of the XPS C1s peak relative to pristine graphene, ΔEC1s, can be described with high accuracy by ΔEC1s=A(cO-cl)2+E0, where c0 is the oxygen concentration, A=52.3 eV, cl=0.

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Membranes are ubiquitous in nature with primary functions that include adaptive filtering and selective transport of chemical/molecular species. Being critical to cellular functions, they are also fundamental in many areas of science and technology. Of particular importance are the adaptive and programmable membranes that can change their permeability or selectivity depending on the environment.

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Only a few of the vast range of potential two-dimensional materials (2D) have been isolated or synthesised to date. Typically, 2D materials are discovered by mechanically exfoliating naturally occurring bulk crystals to produce atomically thin layers, after which a material-specific vapour synthesis method must be developed to grow interesting candidates in a scalable manner. Here we show a general approach for synthesising thin layers of two-dimensional binary compounds.

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We clarify that the chemisorption of oxygen atoms at the edges is a key contributor to the frequently observed edge enhancement and spatial non-uniformities of photoluminescence (PL) in WS monolayers. Here we have investigated with momentum- and real-space nanoimaging of the chemical and electronic density inhomogeneity of WS flakes. Our finding from a large panoply of techniques together with density functional theory calculation confirms that the oxygen chemisorption leads to the electron accumulation at the edges.

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The details of the superconducting to quantum metal transition (SQMT) at T = 0 are an open problem that invokes great interest in the nature of this exotic and unexpected ground state (Ephron et al., 1996; Mason and Kapitulnik, 1999; Chervenak and Valles, 2000). However, the SQMT was not yet investigated in a crystalline 2D superconductor with coexisting and fluctuating quantum orders.

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Monolayer VSe , featuring both charge density wave and magnetism phenomena, represents a unique van der Waals magnet in the family of metallic 2D transition-metal dichalcogenides (2D-TMDs). Herein, by means of in situ microscopy and spectroscopic techniques, including scanning tunneling microscopy/spectroscopy, synchrotron X-ray and angle-resolved photoemission, and X-ray absorption, direct spectroscopic signatures are established, that identify the metallic 1T-phase and vanadium 3d electronic configuration in monolayer VSe grown on graphite by molecular-beam epitaxy. Element-specific X-ray magnetic circular dichroism, complemented with magnetic susceptibility measurements, further reveals monolayer VSe as a frustrated magnet, with its spins exhibiting subtle correlations, albeit in the absence of a long-range magnetic order down to 2 K and up to a 7 T magnetic field.

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There are hundreds of companies worldwide claiming to produce "graphene," showing a large variation in its properties. A systematic and reliable protocol is developed to test graphene quality using electron microscopy, atomic force microscopy, Raman spectroscopy, elemental analysis, X-ray photoelectron spectrometry, and scanning and transmission electron microscopy, which is used to study graphene from 60 producers. The statistical nature of the liquid-phase exfoliation of graphite is established.

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Ferroelectric thin film has attracted great interest for nonvolatile memory applications and can be used in either ferroelectric Schottky diodes or ferroelectric tunneling junctions due to its promise of fast switching speed, high on-to-off ratio, and nondestructive readout. Two-dimensional α-phase indium selenide (InSe), which has a modest band gap and robust ferroelectric properties stabilized by dipole locking, is an excellent candidate for multidirectional piezoelectric and switchable photodiode applications. However, the large-scale synthesis of this material is still elusive, and its performance as a ferroresistive memory junction is rarely reported.

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Molybdenum diselenide (MoSe) is a promising two-dimensional material for next-generation electronics and optoelectronics. However, its application has been hindered by a lack of large-scale synthesis. Although chemical vapor deposition (CVD) using laboratory furnaces has been applied to grow two-dimensional (2D) MoSe cystals, no continuous film over macroscopically large area has been produced due to the lack of uniform control in these systems.

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We report a functional hybrid made of silver nanoparticles (AgNPs) embedded in an amorphous aluminium oxide (alumina) film. This laser-initiated process allows formation of AgNPs and amorphous alumina in localized regions defined by the scanning laser beam. Due to metal enhanced fluorescence, this hybrid exhibits strong blue fluorescence emission under ultraviolet excitation.

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The field of valleytronics has promised greater control of electronic and spintronic systems with an additional valley degree of freedom. However, conventional and two-dimensional valleytronic systems pose practical challenges in the utilization of this valley degree of freedom. Here we show experimental evidences of the valley effect in a bulk, ambient, and bias-free model system of Tin(II) sulfide.

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The extreme mechanical resilience of graphene and the peculiar coupling it hosts between lattice and electronic degrees of freedom have spawned a strong impetus toward strain-engineered graphene where, on the one hand, strain augments the richness of its phenomenology and makes possible new concepts for electronic devices, and on the other hand, new and extreme physics might take place. Here, we demonstrate that the shape of substrates supporting graphene sheets can be optimized for approachable experiments where strain-induced pseudomagnetic fields (PMF) can be tailored by pressure for directionally selective electronic transmission and pinching-off of current flow down to the quantum channel limit. The Corbino-type layout explored here furthermore allows filtering of charge carriers according to valley and current direction, which can be used to inject or collect valley-polarized currents, thus realizing one of the basic elements required for valleytronics.

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Optical frequency conversion via the nonlinear effect of third harmonic generation is shown to be resonantly enhanced in few-layer black phosphorus. This feature is believed to be a consequence of exciton-related resonance, as the enhancement is strongly correlated with the observation of exciton-recombination photoluminescence. Few-layer thicknesses are obtained both via mechanical exfoliation and laser thinning.

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Objective: The objective was to investigate the potential of graphene (Gp) to induce odontogenic and osteogenic differentiation in dental pulp stem cells (DPSC).

Methods: Gp was produced by chemical vapor deposition. DPSC were seeded on Gp or glass (Gl).

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A high-performance 2D photodetector based on a bilayer structure comprising a WSe2 monolayer and CH3 NH3 PbI3 organolead halide perovskite is reported. High performance is realized by modification of the WSe2 monolayer with laser healing and perovskite functionalization. After modification, the output of the device was three orders of magnitude better than the pristine device; the performance is superior to that of most of the 2D photodetectors based on transition-metal-dichalcogenides (TMDs).

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Objective: The aim of this study was to evaluate the cytotoxicity and differentiation potential of a graphene oxide (GO)-based substrate using dental pulp stem cell (DPSC).

Methods: GO was obtained via chemical exfoliation of graphite using the modified Hummer's method and dispersed in water-methanol solution. 250μL of 1.

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Enhanced photoresponse is obtained from phosphorene-phosphorene-suboxide. A scanning focused laser beam is employed as a straightforward approach to convert part of a phosphorene film into phosphorene suboxide, creating a functional junction in situ on an optoelectronic device based on phosphorene. As a result, the photoelectrical properties of the optoelectronic device are significantly improved.

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