Dataset
water_and_Cu+_synergy_in_selective_CO2_hydrogenation_to_methanol_over_Cu/MgO_catalysts
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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
https://commons.datacite.org/doi.org/10.60732/cea60472 https://doi.datacite.org/dois/10.60732%2Fcea60472 https://doi.org/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. https://doi.org/10.60732/cea60472. 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 |
| Links |
https://doi.org/10.24435/materialscloud:tz-pn https://doi.org/10.1021/jacs.3c10685 |
| 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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