Search results for "Graphe"
showing 10 items of 563 documents
Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study
2019
The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from [Formula: see text]-K indirect in isolated monolayer to [Formula: see text]-[Formula: see text] direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, w…
Out-of-plane transport of 1T-TaS2/graphene-based van der Waals heterostructures
2021
Due to their anisotropy, layered materials are excellent candidates for studying the interplay between the in-plane and out-of-plane entanglement in strongly correlated systems. A relevant example is provided by 1T-TaS2, which exhibits a multifaceted electronic and magnetic scenario due to the existence of several charge density wave (CDW) configurations. It includes quantum hidden phases, superconductivity and exotic quantum spin liquid (QSL) states, which are highly dependent on the out-of-plane stacking of the CDW. In this system, the interlayer stacking of the CDW is crucial for the interpretation of the underlying electronic and magnetic phase diagram. Here, thin-layers of 1T-TaS2 are …
Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations
2018
The interaction of CO with graphene was studied at different theoretical levels. Quantum-mechanical calculations on finite graphene models with the use of coronene for coupled cluster calculations and circumcoronene for B97D calculations showed that there was no preferential site for adsorption and that the most important factor was the orientation of CO relative to graphene. The parallel orientation was preferred, with binding energies around 9 kJ mol-1 at the CCSD(T) and B97D levels, which was in good agreement with experimental findings. From a large number of CO-circumcoronene and CO-CO interactions, computed at different distances and randomly generated orientations, parameters were fi…
Folic acid-functionalized graphene oxide nanosheets via plasma etching as a platform to combine NIR anticancer phototherapy and targeted drug deliver…
2020
PEGylated graphene oxide (GO) has shown potential as NIR converting agent to produce local heat useful in breast cancer therapy, since its suitable photothermal conversion, high stability in physiological fluids, biocompatibility and huge specific surface. GO is an appealing nanomaterial for potential clinical applications combining drug delivery and photothermal therapy in a single nano-device capable of specifically targeting breast cancer cells. However, native GO sheets have large dimensions (0.5-5 mu m) such that tumor accumulation after a systemic administration is usually precluded. Herein, we report a step-by-step synthesis of folic acid-functionalized PEGylated GO, henceforth named…
Spontaneous intercalation of Ga and In bilayers during plasma-assisted molecular beam epitaxy growth of GaN on graphene on SiC
2019
The formation of a self-limited metallic bilayer is reported during the growth of GaN by plasma-assisted molecular beam epitaxy on graphene on (0001) SiC. Depending on growth conditions, this layer may consist of either Ga or In, which gets intercalated between graphene and the SiC surface. Diffusion of metal atoms is eased by steps at SiC surface and N plasma induced defects in the graphene layer. Energetically favorable wetting of the (0001) SiC surface by Ga or In is tentatively assigned to the breaking of covalent bonds between (0001) SiC surface and carbon buffer layer. As a consequence, graphene doping and local strain/doping fluctuations decrease. Furthermore, the presence of a metal…
Optical Forging of Graphene into Three-Dimensional Shapes
2017
Atomically thin materials, such as graphene, are the ultimate building blocks for nanoscale devices. But although their synthesis and handling today are routine, all efforts thus far have been restricted to flat natural geometries, since the means to control their three-dimensional (3D) morphology has remained elusive. Here we show that, just as a blacksmith uses a hammer to forge a metal sheet into 3D shapes, a pulsed laser beam can forge a graphene sheet into controlled 3D shapes in the nanoscale. The forging mechanism is based on laser-induced local expansion of graphene, as confirmed by computer simulations using thin sheet elasticity theory. peerReviewed
Near Room-Temperature Memory Devices Based on Hybrid Spin-Crossover@SiO2Nanoparticles Coupled to Single-Layer Graphene Nanoelectrodes
2016
The charge transport properties of SCO [Fe(Htrz)2 (trz)](BF4 ) NPs covered with a silica shell placed in between single-layer graphene electrodes are reported. A reproducible thermal hysteresis loop in the conductance above room-temperature is evidenced. This bistability combined with the versatility of graphene represents a promising scenario for a variety of technological applications but also for future sophisticated fundamental studies.
Integrated ternary bionanocomposites with superior mechanical performance via the synergistic role of graphene and plasma treated carbon nanotubes
2019
Abstract Herein, we prepared an integrated ternary bionanocomposite based on polylactic acid (PLA) as a host polymer and two different forms of carbon fillers, i.e. graphene nanoplatelets (GNPs) and carbon nanotubes (CNTs), used simultaneously at extremely low concentrations, relying on the synergistic effect of CNT and graphene nanoreinforcement and a novel, multi-step procedure to achieve a high level dispersion. The results indicated that this multi-step approach allows stiffness increments up to +66%, with simultaneous enhancement of tensile strength (up to +44%), and elongation at break (up to +36%) with respect to neat PLA, by adding an extremely low content (0.5 wt%) of a hybrid comb…
A scalable three-dimensional porous λ-MnO2/rGO/Ca-alginate composite electroactive film with potential-responsive ion-pumping effect for selective re…
2021
Abstract A scalable three-dimensional (3D) porous composite electroactive film consisting of λ-MnO2, reduced graphene oxide (rGO) and calcium alginate (Ca-alg) was successfully fabricated and employed for the selective extraction of Li+ ions with low concentration via an electrochemically switched ion exchange (ESIX) technology. The Li+ ion adsorption capacity of the obtained λ-MnO2/rGO/Ca-alg composite electroactive film reached as high as 32.7 mg g−1 and more than 90% of its equilibrium adsorption capacity was achieved in 1 h. The λ-MnO2/rGO/Ca-alg composite electroactive film displayed evident selectivity towards Li+ ions. The separation factors for Li+/Na+ and Li+/Mg2+ reached 1040.57 a…
Hybrid catalysts for CO 2 conversion into cyclic carbonates
2019
The conversion of carbon dioxide into valuable chemicals such as cyclic carbonates is an appealing topic for the scientific community due to the possibility of valorizing waste into an inexpensive, available, nontoxic, and renewable carbon feedstock. In this regard, last-generation heterogeneous catalysts are of great interest owing to their high catalytic activity, robustness, and easy recovery and recycling. In the present review, recent advances on CO 2 cycloaddition to epoxide mediated by hybrid catalysts through organometallic or organo-catalytic species supported onto silica-, nanocarbon-, and metal-organic framework (MOF)-based heterogeneous materials, are highlighted and discussed.