Search Results - "Souza, Fábio A.L. de"

Topological line defects in graphene for applications in gas sensing by de Souza, Fábio A.L., Amorim, Rodrigo G., Prasongkit, Jariyanee, Scopel, Wanderlã L., Scheicher, Ralph H., Rocha, Alexandre R.

“…Topological line defects in graphene synthesized in a highly controlled manner open up new research directions for nanodevice applications. Here, we…”
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Combined experimental and computational 1H NMR study of water adsorption onto graphenic materials by Ambrozio, Alan R., Lopes, Thierry R., Cipriano, Daniel F., Souza, Fábio A.L. de, Scopel, Wanderlã L., Freitas, Jair C.C.

“…The effects caused by the interaction with graphene-like layers on the 1H NMR spectra of water molecules adsorbed onto porous carbon materials were…”
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Topological Line Defects Around Graphene Nanopores for DNA Sequencing by Prasongkit, Jariyanee, de Freitas Martins, Ernane, de Souza, Fábio A. L, Scopel, Wanderlã L, Amorim, Rodrigo G, Amornkitbamrung, Vittaya, Rocha, Alexandre R, Scheicher, Ralph H

“…Topological line defects in graphene represent an ideal way to produce highly controlled structures with reduced dimensionality that can be used in electronic…”
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Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore by de Souza, Fábio A L, Sivaraman, Ganesh, Fyta, Maria, Scheicher, Ralph H, Scopel, Wanderlã L, Amorim, Rodrigo G

“…The feasibility of synthesizing unnatural DNA/RNA has recently been demonstrated, giving rise to new perspectives and challenges in the emerging field of…”
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Size and shape effects on the stability, electronic structure, and Raman spectroscopy of (SrO)n nanoclusters by Filho, Luciano F., Pansini, Fernando N. N., Souza, Fábio A. L.

“…Structural, electronic, and Raman scattering properties of strontium oxide nanoclusters are assessed through density functional theory. Binding energy and…”
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Electronic Transport along Hybrid MoS2 Monolayers by Sivaraman, Ganesh, de Souza, Fábio A. L, Amorim, Rodrigo G, Scopel, Wanderlã L, Fyta, Maria, Scheicher, Ralph H

“…Molybdenum disulfide (MoS2) is a two-dimensional material in which a semiconducting and a metallic phase can coexist. In this work, we investigate the…”
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Trends in the Spin States and Mean Static Dipole Polarizability of the Group VIIIA Metallocenes by Pansini, Fernando N. N, de Souza, Fábio A. L

“…By using density functional theory, spin states, geometries, and mean static dipole polarizabilities of group VIIIA metallocenes M­(C5H5)2 (M = Fe, Co, Ni, Ru,…”
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Basis Set Convergence on Static Electric Dipole Polarizability Calculations of Alkali-Metal Clusters by Souza, Fábio A. L. de, Jorge, Francisco E.

“…A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions…”
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NMR Spectral Parameters in Graphene, Graphite, and Related Materials: Ab Initio Calculations and Experimental Results by de Souza, Fábio A. L, Ambrozio, Alan R, Souza, Everson S, Cipriano, Daniel F, Scopel, Wanderlã L, Freitas, Jair C. C

“…The shielding tensor in 13C nuclear magnetic resonance (NMR) offers important information about the structural aspects of carbon materials from a local point…”
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