Work

CO 2 hydrogenation on Ni(111): microkinetic modelling vs. kinetic Monte Carlo simulations – choosing the right approach for unravelling reaction kinetics

Year: 2025

Type: article

Abstract: Illustration of the gaseous production and overall coverage for different conditions using both the MkM and kMC methods.

Source: RSC Sustainability

DOI: 10.1039/d5su00240k

Authors: Alejandro Gracia, Pablo Lozano-Reis, Fermín Huarte-Larrañaga, Pablo Gamallo, Ramón Sayós

Institution: Universitat de Barcelona

Language: English

Topic: Catalysts for Methane Reforming

Subfield: Catalysis

Field: Chemical Engineering

Domain: Physical Sciences

SDG: Climate action

Open Access status: diamond

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

Awards: G121809054, G145641598, G1510469474, G1622782223, G1969072752, G2543706835, G2660406951, G2907678734, G3419197830, G3480869486, G384489994, G4321638930, G5600780595, G624877701, G7084143925, G734693063, G8373511800, G8920660035

OpenAlex ID: W4410905237

FWCI: 0.417

Cites: 50

Cited by: 3

Related to: 10