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Manuscript title: Low-nuclearity CuZn ensembles on ZnZrOx catalyze methanol synthesis from CO₂
Journal: Nat. Commun.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morales-Vidal, Jordi | - |
| dc.date.accessioned | 2024-02-05T08:33:47Z | - |
| dc.date.available | 2024-04-11T13:59:32Z | - |
| dc.date.created | 2024-02-05T09:33:46.166+01:00 | - |
| dc.date.issued | 2024-02-05T09:33:46.166+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/66710 | - |
| dc.description | Zn₆ZrOx slab model with 6 Zn incorporated into m-ZrO₂ and 6 oxygen vacancies | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Low-nuclearity CuZn ensembles on ZnZrOx catalyze methanol synthesis from CO₂ DOI: 10.1038/s41467-024-47447-6 Journal: Nat. Commun. | * |
| dc.relation.uri | http://dx.doi.org/10.1038/s41467-024-47447-6 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /ZnZrOx/Zn₆ZrOx-configurations Zn₆ZrOx-conf2a | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-02-05T08:33:47Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -1693.46162749 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | O122Zn6Zr58 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | M-ZnZrOx - DOI: 10.19061/iochem-bd-1-288 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/66710
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