Search Results - "Freire, Rafael L. H"

Adsorption of Rh, Pd, Ir, and Pt on the Au(111) and Cu(111) Surfaces: A Density Functional Theory Investigation by Freire, Rafael L. H, Kiejna, Adam, Da Silva, Juarez L. F

“…Several experimental and theoretical studies have suggested that the formation of surface alloys or the deposition of strained transition metal (TM) monolayers…”
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Comparison of the Performance of van der Waals Dispersion Functionals in the Description of Water and Ethanol on Transition Metal Surfaces by Freire, Rafael L. H, Guedes-Sobrinho, Diego, Kiejna, Adam, Da Silva, Juarez L. F

“…Pairwise van der Waals (vdW) corrections have been routinely added to density functional theory (DFT) adsorption studies of inorganic or organic molecules on…”
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Ab Initio Investigation of the Role of CO Adsorption on the Physical Properties of 55-Atom PtCo Nanoalloys by Guedes-Sobrinho, Diego, Freire, Rafael L. H, Chaves, Anderson S, Da Silva, Juarez L. F

“…The knowledge of the physical and chemical properties of PtCo nanoparticles as a function of the Pt/Co composition and atomic distribution is crucial for…”
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Correction to “Adsorption of Rh, Pd, Ir, and Pt on the Au(111) and Cu(111) Surfaces: A Density Functional Theory Investigation” by Freire, Rafael L. H, Kiejna, Adam, Da Silva, Juarez L. F

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Vacancy localization effects on MX2 transition metal dichalcogenides: a systematic ab-initio study by Freire, Rafael L. H, de Lima, Felipe Crasto, Fazzio, Adalberto

“…Phys. Rev. Materials 6, 084002 (2022) Two-dimensional transition metal dichalcogenides (MX$_2$) vacancy formation energetics is extensively investigated…”
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Role of Functional Thiolated Molecules on the Enhanced Electronic Transport of Interconnected MoS 2 Nanostructures by Freire, Rafael L. H., Crasto de Lima, Felipe, Oliveira, Rafael Furlan de, Capaz, Rodrigo B., Fazzio, Adalberto

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Role of Functional Thiolated Molecules on the Enhanced Electronic Transport of Interconnected MoS2 Nanostructures by Freire, Rafael L. H., Crasto de Lima, Felipe, Oliveira, Rafael Furlan de, Capaz, Rodrigo B., Fazzio, Adalberto

“…Molecular linkers have emerged as an effective strategy to improve electronic transport properties on solution-processed layered materials via defect…”
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Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment by Freire, Rafael L.H., Masteghin, Mateus G., Da Silva, Juarez L.F., Orlandi, Marcelo O.

“…[Display omitted] •Ab-initio Sn3O4 exfoliation energy lies in the van der Waals layered materials range.•A modern Scotch-tape exfoliation of a Sn3O4 nanobelt…”
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Exploring Topological Transport in Pt$_2$HgSe$_3$ Nanoribbons: Insights for Spintronic Device Integration by Freire, Rafael L. H, de Lima, F. Crasto, Miwa, Roberto H, Fazzio, A

“…Phys. Rev. B 110, 035111 (2024) The discovery of the quantum spin Hall effect led to the exploration of the electronic transport for spintronic devices. Here,…”
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The role of functional thiolated molecules on the enhanced electronic transport of interconnected MoS$_2$ nanostructures by Freire, Rafael L. H, de Lima, Felipe Crasto, de Oliveira, Rafael Furlan, Capaz, Rodrigo B, Fazzio, Adalberto

“…Molecular linkers have emerged as an effective strategy to improve electronic transport properties on solution-processed layered materials via defect…”
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