CO2 Activation and Hydrogenation: A Comparative DFT Study of Ru10/TiO2 and Cu10/TiO2 Model Catalysts - Schlexer, Philomena; Chen, Hsin-Yi Tiffany; Pacchioni, Gianfranco (Catalysis letters, 2017)
Keywords: Activation; Activation analysis; Adsorption; Anatase; Carbon dioxide; Carbon monoxide; Catalysis; Chemistry; Chemistry and Materials Science; Hydrogen storage; Hydrogenation; Industrial Chemistry/Chemical Engineering; Metal clusters; Organometallic Chemistry; Physical Chemistry; Reduction (metal working); Surface chemistry; Titanium dioxide; Titanium oxides; Vapor phases; Nanoparticles < nanotechnology; Methanation; Cu; Ru; Methanol synthesis; valorization < processes and reactions; CO; Titania; hydrogenation