Facultades Interdisciplinarias
Perfil Público
Facultad Interdisciplinaria de Ciencias Exactas y Naturales
Departamento de Investigación en Física
Dr. Alvaro Posada Amarillas
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Investigador de Tiempo Completo
Departamento de Investigación en Física
Campus Hermosillo
Scopus
Pure
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Listado de las ultimas publicaciones de investigación científica
Electronic and structural effects of MgO(100) support on CO adsorption in coinage metal hexamers
Computational and Theoretical Chemistry (2025)
Pd8 Cluster: Too Small to Melt? A BOMD Study
Journal of Physical Chemistry A (2024)
DFT study of small Re-Pt clusters supported on γ-Al2O3
Surface Science (2022)
Molecular dynamics and DFT study of 38-atom coinage metal clusters
Computational Materials Science (2022)
Effect of temperature on the structure of Pd8 and Pd7Au1 clusters: an Ab initio molecular dynamics approach
Theoretical Chemistry Accounts (2021)
Structure, Energetics, and Thermal Behavior of Bimetallic Re-Pt Clusters
Journal of Physical Chemistry A (2021)
Effects of van der Waals interactions on the structure and stability of Cu8-xPdx (x = 0, 4, 8) cluster isomers
Materials Today Communications (2021)
Theoretical Investigation of Photoinduced Processes in Subnanometer Oxide-Supported Metal Catalysts
Journal of Physical Chemistry C (2021)
Cu-doped KCL unfolded band structure and optical properties studied by DFT calculations
Materials (2020)
Theoretical study of both low- and high-temperature γ - Bi 2MoO 6 crystalline phases
Theoretical Chemistry Accounts (2020)
1H NMR of paramagnetic Dy3+ complex with DTPA-amide p-xylylene-cyclophane; possible probing action toward D-histidine and histamine
Polyhedron (2020)
Effect of substitutional Cu atoms on the electronic and optical properties of KCl: A DFT approach
Materials Today Communications (2020)
H2 Adsorption on Cu4-xMx (M = Au, Pt; X = 0-4) Clusters: Similarities and Differences As Predicted by Density Functional Theory
Journal of Physical Chemistry C (2019)
CeO2(111) electronic reducibility tuned by ultra-small supported bimetallic Pt-Cu clusters
Physical Chemistry Chemical Physics (2019)
TDDFT Study of the Optical Spectra of Free and Supported Binary Coinage Metal Hexamers: Effect of Doping and Support
Journal of Physical Chemistry C (2018)
Electronic structure and optical properties of the new β-CdCr2O4 phase
Computational Materials Science (2018)
Theoretical investigation of the structures of unsupported 38-atom CuPt clusters
European Physical Journal B (2018)
A theoretical study on the geometry and spectroscopic properties of ground-state and local minima isomers of (CuS)n=2-6 clusters
Physica E Low Dimensional Systems and Nanostructures (2018)
CO2 adsorption on gas-phase Cu4-:XPtx(x = 0-4) clusters: A DFT study
Physical Chemistry Chemical Physics (2018)
Empirical-potential global minima and DFT local minima of trimetallic AglAumPtn (l + m + n = 13, 19, 33, 38) clusters
Computational Materials Science (2018)
Synthesis of AucorePdshell Nanoparticles by a Green Chemistry Method and Characterization by HAADF-STEM Imaging
Journal of Cluster Science (2017)
Combined DFT and NBO approach to analyze reactivity and stability of (CuS)n (n = 1–12) clusters
Computational and Theoretical Chemistry (2017)
2D-3D structural transition in sub-nanometer PtN clusters supported on CeO2(111)
Physical Chemistry Chemical Physics (2017)
Experimental and theoretical analyses of ZnO nanoparticles deposited onto single-wall carbon nanotubes
Fullerenes Nanotubes and Carbon Nanostructures (2016)
Computational studies of stable hexanuclear CulAgmAun (l + m + n = 6; L, m, n > 0) clusters
International Journal of Quantum Chemistry (2016)