Publications:
Sebastian Godoy-Gutierrez, Prashant Deshlahra, Francisco Villagra-Soza, Alejandro Karelovic, Romel Jimenez, "CO2 Methanation Routes on Ni, Co, and NiCo (111) and (100) Surfaces", ChemPhysChem, 2025, DOI: 10.1002/cphc.202401056 (Front cover)
Sebastian Godoy-Gutierrez, Anthony Ropp, Karim Azouzi, Julien Pilmé, Sophie Carenco and David Loffreda, Structure Sensitivity, Magnetization, and Topological Analysis in DFT Models of Ni Nanoparticles and Surfaces Functionalized by Adsorbed Trimethylphosphine. J. Phys. Chem. C, 2024. DOI: 10.1021/acs.jpcc.4c05040
Francisco Villagra-Soza, Tomás Vergara, Sebastián Godoy, Alejandro Karelovic, Romel Jiménez, Unraveling the mechanistic interplay between CO and CO2 hydrogenation over Ni, Co, and NiCo catalysts. Journal of Catalysis, 2024, 438, 115726. https://doi.org/10.1016/j.jcat.2024.115726
Godoy, S.; Deshlahra, P.; Villagra-Soza, F.; Karelovic, A.; Jimenez, R. Effects of Site Geometry and Local Composition on Hydrogenation of Surface Carbon to Methane on Ni, Co, and NiCo Catalysts. Catalysts 2022, 12, 1380. https://doi.org/10.3390/catal12111380
Villagra-Soza, F.; Godoy, S.; Karelovic, A.; Jiménez, R. Scrutinizing the Mechanism of CO2 Hydrogenation over Ni, CO and Bimetallic NiCo Surfaces: Isotopic Measurements, Operando-FTIR Experiments and Kinetics Modelling. Journal of Catalysis 2022, 414, 1–15. https://doi.org/10.1016/j.jcat.2022.08.018
Jiménez, R.; Fuentes, K.; Medina, M. P.; Godoy, S.; Gracia, F.; Karelovic, A. The Kinetic Effect of H2O Pressure on CO Hydrogenation over Different Rh Cluster Sizes. International Journal of Hydrogen Energy 2019, 44 (2), 768–777. https://doi.org/10.1016/j.ijhydene.2018.11.021
Also, my PhD thesis: Godoy, S.; Jiménez, R. (tutor); Deshlahra, P. (tutor); Karelovic, A. (co-tutor) Theoretical and experimental study of the CO2 methanation reaction on Ni-Co catalysts, PhD thesis, University of Concepción, Chile 2023. Publicly available (in english) at the repository of the University of Concepción here (details page to donwload here).
Other works
"StegoPlot: a python module to deal with DFT results", status: improving code, about: a python package to compute ab initio thermodynamics and easily construct reaction energy plots. Check the GitHub repository here.
Crystall app: python tool to construct periodic surface models for various surface sizes, and web interface.
