Search Results - "Frota, H.O."

Electronic transport properties of graphene/Al2O3 (0001) interface by Gusmão, M.S., Ghosh, Angsula, Frota, H.O.

“…The electronic structure and transport properties of a single layer of graphene (Gr) on α-Al2O3 surface are studied using the density functional theory (DFT)…”
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Density functional study of adsorption of atoms and molecules on single-walled BN nanotubes by Lima, Claudio Natalio, Frota, H.O., Chaudhuri, Puspitapallab, Ghosh, Angsula

“…Density functional theory calculations have been used to investigate the adsorption of H atom and small molecules (H2, O2, N2, CO, CO2, NO and NO2) on the…”
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Electronic structure and quantum transport properties of boron and nitrogen substituted graphene monolayers by Chaudhuri, Puspitapallab, Ghosh, Angsula, Gusmão, M.S., Mota, C., Frota, H.O.

“…In this work we use ab initio density functional theory (DFT) and propose three new configurations of substituted graphene monolayers where the carbon atoms…”
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Density functional study of glycine adsorption on single-walled BN nanotubes by Chaudhuri, Puspitapallab, Lima, Claudio Natalio, Frota, H.O., Ghosh, Angsula

“…[Display omitted] •Adsorption of glycine molecule on the boron-nitrogen semiconducting nanotube through hydrogen bonding.•Armchair version of the nanotube…”
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First-principles study of nanotubes of carbon, boron and nitrogen by Chaudhuri, Puspitapallab, Lima, Claudio Natalio, Frota, H.O., Ghosh, Angsula

“…Density functional theory calculations are used to investigate a series of zigzag and armchair nanotubes of carbon, boron and nitrogen with various values of…”
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Encapsulation of atomic hydrogen and gaseous molecules in single-walled boron–nitrogen nanotubes: A computational study by Lima, Claudio Natalio, Frota, H.O., Chaudhuri, Puspitapallab, Ghosh, Angsula

“…First-principles calculations on the encapsulation of atomic hydrogen and some diatomic and triatomic molecules in single-walled (5,5) and (9,0) boron–nitrogen…”
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Ab-initio calculations of transport, optical and dielectric properties of substituted Lizardite by Pecinatto, Henrique, Ghosh, Angsula, Gusmão, Marta S.S., Frota, H.O.

“…DFT calculations have successfully predicted substituted lizardites with spin-filter properties that could pave the way for the design of new materials…”
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Graphene on a hexagonal lattice substrate with on-site Hubbard interaction by Monteiro, J.R.M., Frota, H.O.

“…We use the self-consistent mean field approach to study the dispersion relation of graphene on a substrate with hexagonal lattice structure, similar to that of…”
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Rashba effect on the electronic transport through a quantum dot in the atomic limit by Santos, Elcivan dos, Frota, H.O., Ghosh, Angsula

“…We study the behavior of a quantum dot attached to two electrodes with localized spin–orbit (Rashba) interactions. Using the Anderson model we report the…”
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Investigation of the effect of oxygen vacancies on the electronic properties of lizardite by Pecinatto, H., Ghosh, Angsula, Mota, Cícero, Frota, C.A., Gusmão, M.S.S., Frota, H.O.

“…Doping and chemical substitutions of clay minerals have been very successful recently in the design of new novel materials. The serpentine mineral, lizardite…”
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Analysis of lizardite-graphene van der Waals heterostructures: A DFT study by Monteiro, A.K.C., Frota, H.O., Frota, C.A., Gusmão, M.S.S., Ghosh, Angsula

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Interaction between the localized states in graphene by Ghosh, Angsula, Frota, H.O.

“…The formation of the localized magnetic moments is studied due to the presence of two-impurities in the two sublattices of a single-layer graphene sheet. The…”
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Tunneling in presence of magnetic impurities in graphene by Ghosh, Angsula, Monteiro, J.R.M., Frota, H.O.

“…The tunneling rate of a particle between two sites situated in different sublattices of a single-layer graphene sheet which can interact with the conduction…”
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Determination of the mechanical, thermal, electronic and optoelectronics properties of BaMoO4 with oxygen vacancy by ab-initio calculations by Pecinatto, H., Mota, Cícero, Frota, H.O.

“…We studied the mechanical, thermal, electronic and optical properties of BaMoO4 with and without oxygen vacancy, taking into account the Hubbard interaction…”
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Spin thermopower in interacting Rashba dots by Ghosh, Angsula, Frota, H.O.

“…Spintronics or spin electronics has been an active area of research based on the active control and manipulation of spin degrees of freedom. In this work we…”
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Thermoelectric properties of SnSe (Pnma) under hydrostatic pressure by Gusmão, M.S., Mota, C., Ghosh, Angsula, Frota, H.O.

“…[Display omitted] The effect of the hydrostatic pressures on the thermoelectrical properties of SnSe in the Pnma phase is studied using the density functional…”
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Energy band structure and electronic transport properties of chlorine-doped polyaniline from ab initio calculations by Reis, A.S., Sanches, E.A., Frota, H.O.

“…•The electronic properties of polyaniline was studied for each state of oxidation/reduction.•It were obtained the band structure, projected density of states,…”
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Spin caloritronics in graphene by Frota, H.O., Ghosh, Angsula

“…Spin caloritronics, the combination of spintronics with thermoelectrics, based on spin and heat transport has attracted a great attention mainly in the…”
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Localized magnetic state in the Rashba model by Frota, H.O., Gusmão, M.S., Ghosh, Angsula

“…We study the formation of local moments in a metallic host due to a localized spin-orbit (Rashba) interaction. Using the Anderson model we describe the…”
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Multifractality of Brazilian rivers by Rego, C.R.C., Frota, H.O., Gusmão, M.S.

“…•We use the Multifractal Detrended Fluctuation Analysis to study water levels.•We model 16 Brazilian hydrological stations situated in 12 rivers.•We obtain the…”
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