CO <sub>2</sub> hydrogenation on Ni(111): microkinetic modelling <i>vs.</i> kinetic Monte Carlo simulations – choosing the right approach for unravelling reaction kinetics
Illustration of the gaseous production and overall coverage for different conditions using both the MkM and kMC methods.
Authors
- R. Sayós (ORCID: https://orcid.org/0000-0001-6627-7844)
- Pablo Lozano‐Reis (ORCID: https://orcid.org/0000-0001-9809-8023)
- Pablo Gamallo (ORCID: https://orcid.org/0000-0002-8531-8063)
- Fermı́n Huarte-Larrañaga (ORCID: https://orcid.org/0000-0001-5503-1881)
- Alejandro Gracia (ORCID: https://orcid.org/0000-0003-0790-8743)
Institutions
- Universitat de Barcelona (ES)
Publication Details
- Journal
- RSC Sustainability
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5su00240k
- Citations
- 2
- Primary Topic
- Catalysts for Methane Reforming
- Type
- article
- Field-Weighted Citation Impact
- 0.78
Funders
- Ministerio de Ciencia, Innovación y Universidades
- European Commission
- Generalitat de Catalunya
- Ministerio de Ciencia e Innovación
- Universitat de Barcelona
- California State University, Chico
- European Regional Development Fund
- Agencia Estatal de Investigación