Search Results - "Posada Amarillas, A."

Classical theoretical characterization of the surface plasmon absorption band for silver spherical nanoparticles suspended in water and ethylene glycol by Slistan-Grijalva, A., Herrera-Urbina, R., Rivas-Silva, J.F., Ávalos-Borja, M., Castillón-Barraza, F.F., Posada-Amarillas, A.

“…The absorbance of spherical silver nanoparticles in water and in ethylene glycol was calculated by a summation of the Mie series including multipoles ⩽10, for…”
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Metallic States at the Edges of MoS₂ Clusters by Galvan, D. H, Amarillas, A. Posada, José-Yacamán, M

“…In this work we suggest that certain structures present in real commercial catalysts maybe related to low dimensional structures and present a theoretical…”
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Assessment of growth of silver nanoparticles synthesized from an ethylene glycol–silver nitrate–polyvinylpyrrolidone solution by Slistan-Grijalva, A., Herrera-Urbina, R., Rivas-Silva, J.F., Ávalos-Borja, M., Castillón-Barraza, F.F., Posada-Amarillas, A.

“…The growth of silver nanoparticles synthesized at 27±1°C from an ethylene glycol–silver nitrate–polyvinylpyrrolidone solution has been assessed using a…”
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Concentration-dependent study of electronic and optical properties of c-Si and c-Si:H by Núñez-González, R., Posada-Amarillas, A., Galván, D. H., Reyes-Serrato, A.

“…Electronic and optical properties of crystalline silicon (c‐Si) and hydrogen‐doped crystalline silicon (c‐Si:H) were calculated using the full‐potential…”
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Study of Vacancies and Pd Atom Decoration on the Electronic Properties of Bilayer Graphene by Galvan, D. H., Posada Amarillas, A., Núñez-González, R., Mejía, S., José-Yacamán, M.

“…We have investigated the scenario of graphene when irradiated with high energetic protons and subsequently decorated with Pd atoms on one of the layers…”
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Effect of Proton Irradiation on Graphene Layers by Galvan, D. H., Amarillas, A. Posada, Mejía, S., Wing, C., José-Yacamán, M.

“…HRTEM analysis has been performed on proton irradiated graphene. The analysis indicates the existence of Moiré patterns produced by the rotations induced by…”
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Diffraction Patterns Observed in Two-layered Graphene and Their Theoretical Explanation by Galvan, D. H., Posada Amarillas, A., Elizondo, N., Mejía, S., Pérez-Tijerina, E., José-Yacamán, M.

“…High resolution transmission electron microscopy analysis of two-layered graphene yielded Moiré patterns induced by Pt atoms/clusters located at the top of one…”
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A theoretical study of Cu clusters in siliceous erionite by Antúnez-García, Joel, Galván, D.H., Posada-Amarillas, A., Petranovskii, Vitalii

“…•Configurations for erionite/Cux composites were studied by DFT-method.•Results shows that clusters could be confined inside of zeolite through long range…”
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Lowest Energy Structures of Gold Nanoclusters by Garzón, I. L., Michaelian, K., Beltrán, M. R., Posada-Amarillas, A., Ordejón, P., Artacho, E., Sánchez-Portal, D., Soler, J. M.

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Electronic properties of Co and Ni silicides: a theoretical approach using extended Huckel method by Galvan, D. H., Posada Amarillas, A., Samaniego Reyna, J. C., García-Méndez, M., Farías, M. H.

“…Calculations of electronic structure, total and projected density of states (DOS), crystal orbital overlap population (COOP), and average net charge, and also…”
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Experimental and theoretical properties of S–Mo–Co–S clusters by Galvan, D.H., Deepak, Francis Leonard, Esparza, Rodrigo, Posada-Amarillas, A., Núñez-González, R., López-Lozano, X., José-Yacamán, M.

“…Our research provides evidence for the existence of S–Mo–S, S–Mo–Co–S and S–Mo–Co–S with rotated planes nano wires. This evidence was proved by means of High…”
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Electronic Properties and Chemical Bonding of Orthorhombic Chromium Carbide by POSADA-AMARILLAS, A, GALVAN, D. H, CASTILL, F. F, AVALOS-BORJA, M

“…The electronic properties of an orthorhombic phase of chromium carbide are calculated by the extended Hückel tight‐binding method. We found in this phase…”
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Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of δ-Bi2O3 by Alemany, P., Rangel-Segura, R., Núñez-González, R., Galván, D. H., Posada-Amarillas, A.

“…Fully relativistic full-potential density functional calculations with an all-electron linearized augmented plane waves plus local orbitals method were carried…”
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Experimental and theoretical study of the electronic properties of CoSi 2 and NiSi 2 by Garcı́a-Méndez, M, Galvan, D.H, Posada-Amarillas, A, Farı́as, M.H

“…Electronic structure of Co and Ni silicides were studied by means of the spectral properties of XPS high-resolution measurements together with theoretical…”
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Experimental and theoretical DOS of Co and Ni silicides by Garcı́a-Méndez, M., Farı́as, M.H., Galván-Martı́nez, D.H., Posada-Amarillas, A., Beamson, G.

“…A set of samples of Co–Ni silicide thin-films were deposited on Si wafers by PLD and were submitted to thermal annealing to promote silicidation. Samples were…”
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Molecular dynamics and DFT study of 38-atom coinage metal clusters by Sanders-Gutierrez, Oscar Alan, Luna-Valenzuela, Analila, Posada-Borbón, Alvaro, Christian Schön, J., Posada-Amarillas, Alvaro

“…[Display omitted] •Melting temperature of metal clusters is estimated from molecular dynamics simulations.•Structural changes are monitored as a function of…”
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A theoretical study on the geometry and spectroscopic properties of ground-state and local minima isomers of (CuS)n=2-6 clusters by Luque-Ceballos, Jonathan C., Posada-Borbón, Alvaro, Herrera-Urbina, Ronaldo, Aceves, R., Juárez-Sánchez, J. Octavio, Posada-Amarillas, Alvaro

“…Spectroscopic properties of gas-phase copper sulfide clusters (CuS)n (n = 2–6) are calculated using Density Functional Theory (DFT) and time-dependent (TD) DFT…”
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Synthesis of silver nanoparticles in a polyvinylpyrrolidone (PVP) paste, and their optical properties in a film and in ethylene glycol by Slistan-Grijalva, A., Herrera-Urbina, R., Rivas-Silva, J.F., Ávalos-Borja, M., Castillón-Barraza, F.F., Posada-Amarillas, A.

“…Silver nanoparticles were synthesized in a paste of polyvinylpyrrolidone formed after mixing PVP with acetone and a small volume of aqueous silver nitrate…”
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Experimental and theoretical analyses of ZnO nanoparticles deposited onto single-wall carbon nanotubes by Galvan, D. H., Alonso, G., Tejeda, M., Torres, A., Reeja-Jayan, B., Ferrer, D., Posada-Amarillas, A., Barraza-Jimenez, D., José-Yacamán, M.

“…Experimental and theoretical studies were performed on Single Wall Carbon Nanotubes (SWCN) decorated with ZnO nanoparticles located on the surface of the SWCN…”
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Tetrahelix Conformations and Transformation Pathways in Pt1Pd12 Clusters by Pacheco-Contreras, Rafael, Dessens-Félix, Maribel, Borbón-González, Dora J, Paz-Borbón, L. Oliver, Johnston, Roy L, Schön, J. Christian, Posada-Amarillas, Alvaro

“…The threshold method is used to explore the potential energy surface of the Pt1Pd12 bimetallic cluster, defined by the Gupta semiempirical potential. A set of…”
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