Alvaro Posada Borbon

Doctoral Student at Chemical Physics

I am working on computational heterogenous catalysis. Currently, I'm modelling the reaction of carbon dioxide over metal and metal-oxide surfaces. We intend to understand deactivation of copper-based catalysts and the reaction mechanisms that allow for the generation of added-value chemicals on Indium based oxides. My research is done by means of DFT calculations.

Source: chalmers.se

Showing 10 publications

2020

Hydrogen adsorption on In2O3(111) and In2O3(110)

Alvaro Posada Borbon, Henrik Grönbeck
Physical Chemistry Chemical Physics. Vol. 22 (28), p. 16193-16202
Journal article
2019

Correlation between Ethylene Adsorption Energies and Core-Level Shifts for Pd Nanoclusters

Alexey A. Tal, Alvaro Posada Borbon, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 123 (4), p. 2544-2548
Journal article
2019

CO2 adsorption on hydroxylated In2O3(110)

Alvaro Posada Borbon, Henrik Grönbeck
Physical Chemistry Chemical Physics. Vol. 21 (39), p. 21698-21708
Journal article
2018

A theoretical study on the geometry and spectroscopic properties of ground-state and local minima isomers of (CuS)n=2-6 clusters

Jonathan C. Luque-Ceballos, Alvaro Posada Borbon, Ronaldo Herrera-Urbina et al
Physica E: Low-Dimensional Systems and Nanostructures. Vol. 97, p. 1-7
Journal article
2018

Steps Control the Dissociation of CO2 on Cu(100)

Benjamin Hagman, Alvaro Posada Borbon, Andreas Schaefer et al
Journal of the American Chemical Society. Vol. 140 (40), p. 12974-12979
Journal article
2018

Initial oxidation of Cu(100) studied by X-ray photo-electron spectroscopy and density functional theory calculations

Alvaro Posada Borbon, Benjamin Hagman, Andreas Schaefer et al
Surface Science. Vol. 675, p. 64-69
Journal article
2017

Cluster Size Effects in Ethylene Hydrogenation over Palladium

Alvaro Posada Borbon, Christopher Heard, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 121 (20), p. 10870-10875
Paper in proceedings
2017

Dissociative adsorption of CO2 on Cu(100)

Benjamin Hagman, Andreas Schaefer, Chu Zhang et al
Conference contribution
2016

Particle size effects in ethylene hydrogenation over Pd

Alvaro Posada Borbon
17th Nordic Symposium on Catalysis, June 14-16, 2016 Lund, Sweden
Paper in proceedings

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