Reduced graphene oxide multilayers for gas and liquid phases chemical sensing

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A synergistic combination of reduced graphene oxide and antimony nanoparticles for estriol hormone detection

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A nonzero gap two-dimensional carbon allotrope from porous graphene

Graphene has been one of the hottest topics in materials science in the last years. Because of its special electronic properties graphene is considered one of the most promising materials for future electronics. However, in its pristine form graphene is a gapless semiconductor, which poses some limitations to its use in some transistor electronics. Many approaches have been tried to create, in a controlled way, a gap in graphene. These approaches have obtained limited successes. Recently, hydrogenated graphene-like structures, the so-called porous graphene, have been synthesized. In this work we show, based on ab initio quantum molecular dynamics calculations, that porous graphene dehydrogenation can lead to a spontaneous formation of a nonzero gap two-dimensional carbon allotrope, called biphenylene carbon (BC). Besides exhibiting an intrinsic nonzero gap value, BC also presents well delocalized frontier orbitals, suggestive of a structure with high electronic mobility. Possible synthetic routes to obtain BC from porous graphene are addressed. © 2012 Materials Research Society.

When small is different: The case of membranes inside tubes

Recently, classical elasticity theory for thin sheets was used to demonstrate the existence of a universal structural behavior describing the confinement of sheets inside cylindrical tubes. However, this kind of formalism was derived to describe macroscopic systems. A natural question is whether this behavior still holds at nanoscale. In this work, we have investigated through molecular dynamics simulations the structural behavior of graphene and boron nitride single layers confined into nanotubes. Our results show that the class of universality observed at macroscale is no longer observed at nanoscale. The origin of this discrepancy is addressed in terms of the relative importance of forces and energies at macro and nano scales. © 2012 Materials Research Society.

Graphene to fluorographene and fluorographane: A theoretical study

We report here a fully reactive molecular dynamics study on the structural and dynamical aspects of the fluorination of graphene membranes (fluorographene). Our results show that fluorination tends to produce defective areas on the graphene membranes with significant distortions of carbon-carbon bonds. Depending on the amount of incorporated fluorine atoms, large membrane holes were observed due to carbon atom losses. These results may explain the broad distribution of the structural lattice parameter values experimentally observed. We have also investigated the effects of mixing hydrogen and fluorine atoms on the graphene functionalization. Our results show that, when in small amounts, the presence of hydrogen atoms produces a significant decrease in the rate of fluorine incorporation onto the membrane. On the other hand, when fluorine is the minority element, it produces a significant catalytic effect on the rate of hydrogen incorporation. We have also observed the spontaneous formation of new hybrid structures with different stable configurations (chair-like, zigzag-like and boat-like) which we named fluorographane. © 2013 IOP Publishing Ltd.

Electronic transport in patterned graphene nanoroads

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Graphene sheet versus two-dimensional electron gas: A relativistic Fano spin filter via STM and AFM tips

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Analysis of the Stresses in Corrugated Sheets under Bending

This paper presents three different numerical models for the evaluation of the stresses in corrugated sheets under bending. Regarding the numerical simulations different approaches can be considered, i.e., a elastic linear analysis or a physical nonlinear analysis, that considers criteria to fail for the sheet material. Moreover, the construction of the finite element mesh can be used shell elements or solid elements. The choice of each finite element must be made from the consideration of their representativity before behavior to be simulated. Thus, the numerical modelling in this manuscript was performed from the three-dimensional models using the SAP2000Nonlinear software, version 7.42, which has as base the finite elements method (FEM). It was considered shell elements in the build the mesh of finite elements and an analysis of type elastic linear in this case. Five mm thick sheets were evaluated considering three different longitudinal dimensions (spans), i.e., 1100 mm, 1530 mm and 1830 mm. The applied load to the models was 2500 N/m and it was verified that the spans of support of sheets have a significant influence on the results of stresses. The sheets with larger spans present larger stresses for the same applied load. The most intense values of tension occur in the troughs (low waves) of the sheets, on the lower surface, while the most intense values of compression occur in the crests (high waves), on the upper surface of the sheet. The flanks, which are the parts among the troughs and crests of the sheets, are submitted to low levels of stresses. The numeric results of the stresses showed a good agreement with the results obtained from other researchers(3) and these results can be used to predict the behavior of corrugated sheets under bending.

Tailoring Thermal Transport Property of Graphene through Oxygen Functionalization

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

DEVELOPMENT OF A BIOMIMETIC SENSOR MODIFIED WITH HEMIN AND GRAPHENE OXIDE FOR MONITORING OF CARBOFURAN IN FOOD

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Determination of carbofuran and diuron in FIA system using electrochemical sensor modified with organometallic complexes and graphene oxide

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Optical spectrum of bottom-up graphene nanoribbons: towards efficient atom-thick excitonic solar cells

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Simultaneous determination of epinephrine and dopamine by electrochemical reduction on the hybrid material SiO2/graphene oxide decorated with Ag nanoparticles

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Hybridization effects on the out-of-plane electron tunneling properties of monolayers: is h-BN more conductive than graphene?

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)