Thermodynamic and Kinetic Study on Carbon Dioxide Hydrogenation to Methanol Over a Ga3Ni5(111) Surface: The Effects of Step Edge
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b08232
Abstract: Density functional theory (DFT) was used to study the mechanisms of carbon dioxide (CO2) hydrogenation to methanol (CH3OH) on a stepped Ga3Ni5(111) surface. Surface properties, adsorption energies of reactants, and potential intermediates and products, as… read more here.
Keywords: hydrogenation methanol; thermodynamic kinetic; ga3ni5 111; surface ... See more keywords