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Name water_and_Cu+_synergy_in_selective_CO2_hydrogenation_to_methanol_over_Cu/MgO_catalysts
Extended ID water_and_Cu+_synergy_in_selective_CO2_hydrogenation_to_methanol_over_Cu/MgO_catalysts_VillanuevaLustembergZhaoSorianoConcepcionPirovano__DS_kl12pfupgv5e_0
Description This dataset was created to investigate the role of surface water and hydroxyl groups in facilitating spontaneous CO₂ activation at Cu⁺ sites and the formation of monodentate formate species in the context of using CO2 hydrogenation to produce methanol.
Authors Estefanía Fernández Villanueva
Pablo Germán Lustemberg
Minjie Zhao
Jose Soriano
Patricia Concepción
María Verónica Ganduglia Pirovano
DOI 10.60732/cea60472

Cite as: Villanueva, E. F., Lustemberg, P. G., Zhao, M., Soriano, J., Concepción, P., and Pirovano, M. V. G. "water and Cu+ synergy in selective CO2 hydrogenation to methanol over Cu/MgO catalysts." ColabFit, 2024.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements C (1.4%)
Cu (4.93%)
H (13.89%)
Mg (34.91%)
O (44.87%)
Number of Data Objects 14,962
Number of Configurations 14,962
Number of Atoms 1,043,709
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_kl12pfupgv5e_0
Files colabfitspec.json

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