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Manuscript title: Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO₂
Journal: Adv. Mater.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morales-Vidal, Jordi | - |
| dc.date.accessioned | 2022-11-30T21:53:20Z | - |
| dc.date.available | 2023-02-06T11:53:36Z | - |
| dc.date.created | 2022-11-30T22:53:19.24+01:00 | - |
| dc.date.issued | 2022-11-30T22:53:19.24+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/53172 | - |
| dc.description | 2 oxygen vacancies in t-ZnZrOx (surface and subsurface sites) and Zn in Zr4 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO₂ DOI: 10.1002/aenm.202204122 Journal: Adv. Mater. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/aenm.202204122 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Oxygen-vacancies/x-ZnZrOx-slab/t-ZnZrOx-2vac/Zn-subsurf-t-ZnZrOx-2vac m4b-t-ZnZrOx-vac2-ss-5 | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-11-30T21:53:20Z | - |
| 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 | -421.32668590 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | O30ZnZr15 | 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: | Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO₂ - DOI: 10.19061/iochem-bd-1-259 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/53172
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