Álvaro Posada-Amarillas - Publications, H-index & Citations

Álvaro Posada-Amarillas

Universidad de Sonora

21H指数

92论文数

1.8K被引数

收录论文 24

发表时间

In-silico optimization of CO₂ adsorption on graphene nanoribbons via heteroatom edge-doping under competitive H2O conditions 通过杂原子边缘掺杂在竞争性H₂O条件下对石墨烯纳米带上的CO₂吸附进行计算机模拟优化

Computational and Theoretical Chemistry

IF2.8

2026-03-23

PREAI

Juan Enrique Ramírez-Hernández; Thantip Roongcharoen; Jonathan Casildo Luque-Ceballos; Alessandro Fortunelli; Alvaro Posada-Amarillas

Electronic and structural effects of MgO(100) support on CO adsorption in coinage metal hexamers MgO(100)载体对贵金属团簇中CO吸附的电子和结构效应

Computational and Theoretical Chemistry

IF2.8

2025-09-24

PREAI

Jonathan C. Luque-Ceballos; Alessandro Fortunelli; Alvaro Posada-Amarillas

Molecular dynamics and DFT study of 38-atom coinage metal clusters

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2022-01-01

PREAI

Alan Sanders-Gutierrez, Oscar; Luna-Valenzuela, Analila; Posada-Borbon, Alvaro; Schoen, J. Christian; Posada-Amarillas, Alvaro

Effects of van der Waals interactions on the structure and stability of Cu8-xPdx (x = 0, 4, 8) cluster isomers

MATERIALS TODAY COMMUNICATIONS

IF4.5

2021-03-01

PREAI

Luna-Valenzuela, Analila; Luis Cabellos, Jose; Alonso, Julio A.; Posada-Amarillas, Alvaro

Theoretical Investigation of Photoinduced Processes in Subnanometer Oxide-Supported Metal Catalysts

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-01-12

PREAI

Sementa, Luca; Monti, Marta; Toffoli, Daniele; Posada-Amarillas, Alvaro; Stener, Mauro; Fortunelli, Alessandro

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations

MATERIALS

IF3.2

2020-09-26

OAAI

Castillo-Quevedo, Cesar; Cabellos, Jose Luis; Aceves, Raul; Nunez-Gonzalez, Roberto; Posada-Amarillas, Alvaro

Effect of substitutional Cu atoms on the electronic and optical properties of KCl: A DFT approach

MATERIALS TODAY COMMUNICATIONS

IF4.5

2020-03-01

PREAI

Nunez-Gonzalez, Roberto; Aceves, R.; Luis Cabellos, Jose; Posada-Amarillas, Alvaro

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

IF3.2

2019-11-20

PREAI

Galvez-Gonzalez, Luis E.; Alonso, Julio A.; Oliver Paz-Borbon, Lauro; Posada-Amarillas, Alvaro

TDDFT Study of the Optical Spectra of Free and Supported Binary Coinage Metal Hexamers: Effect of Doping and Support

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-09-19

PREAI

Luque-Ceballos, Jonathan C.; Sementa, Luca; Apra, Edoardo; Fortunelli, Alessandro; Posada-Amarillas, Alvaro

Electronic structure and optical properties of the new β-CdCr2O4 phase

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2018-07-01

PREAI

Nunez-Gonzalez, Roberto; Antunez-Garcia, Joel; Duran, A.; Galvan, Donald H.; Posada-Amarillas, Alvaro

Empirical-potential global minima and DFT local minima of trimetallic AglAumPtn (l plus m plus n=13, 19, 33, 38) clusters

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2018-01-01

PREAI

Pacheco-Contreras, Rafael; Octavio Juarez-Sanchez, J.; Dessens-Felix, Maribel; Aguilera-Granja, Faustino; Fortunelli, Alessandro; Posada-Amarillas, Alvaro

A DFT study of copper-oxide clusters embedded in dry and water-immersed siliceous mordenite

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2015-08-01

PREAI

Antunez-Garcia, Joel; Galvan, D. H.; Petranovskii, Vitalii; Posada-Amarillas, Alvaro

A theoretical study of Cu clusters in siliceous erionite

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2014-02-01

PREAI

Antunez-Garcia, Joel; Galvan, D. H.; Posada-Amarillas, A.; Petranovskii, Vitalii

Structural Motifs of Bimetallic Pt101-xAux Nanoclusters 双金属Pt101-xAux纳米团簇的结构基序

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2013-09-26

PREAI

Dessens-Felix, Maribel; Pacheco-Contreras, Rafael; Barcaro, Giovanni; Sementa, Luca; Fortunelli, Alessandro; Posada-Amarillas, Alvaro

DFT calculation of the electronic properties and EEL spectrum of NiSi2

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2010-06-01

PREAI

Nunez-Gonzalez, Roberto; Reyes-Serrato, Armando; Galvan, Donald H.; Posada-Amarillas, Alvaro

Structural Insights into 19-Atom Pd/Pt Nanoparticles: A Computational Perspective

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2009-08-18

PREAI

Borbon-Gonzalez, Dora J.; Pacheco-Contreras, Rafael; Posada-Amarillas, Alvaro; Schoen, J. Christian; Johnston, Roy L.; Montejano-Carrizales, Juan Martin

Synthesis of silver nanoparticles in a polyvinylpyrrolidone (PVP) paste, and their optical properties in a film and in ethylene glycol

MATERIALS RESEARCH BULLETIN

IF5.7

2008-01-01

128

PREAI

Slistan-Grijalva, A.; Herrera-Urbina, R.; Rivas-Silva, J. F.; Avalos-Borja, M.; Castillon-Barraza, F. F.; Posada-Amarillas, A.

Relationship between excess entropy and microstructure of undercooled liquid metals

JOURNAL OF NON-CRYSTALLINE SOLIDS

IF3.5

2007-07-01

PREAI