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Manuscript title: Design of Flame-Made ZnZrOx Catalysts for Sustainable Methanol Synthesis from CO₂
Journal: Adv. Energy Mater.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morales-Vidal, Jordi | - |
| dc.date.accessioned | 2022-12-02T15:40:12Z | - |
| dc.date.available | 2023-02-06T11:53:06Z | - |
| dc.date.created | 2022-12-02T16:40:10.94+01:00 | - |
| dc.date.issued | 2022-12-02T16:40:10.94+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/53386 | - |
| dc.description | EPR active m-ZrO₂ structure with one oxygen vacancy computed with HSE03 with 13% of nonlocal Hartree-Fock exchange | - |
| 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. Energy 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 | /EPR-structures m-ZrO₂-1vac-EPR-active-HSE03 | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-12-02T15:40:12Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -483.81829170 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | O31Zr16 | en |
| cml.calculationtype | Single point | 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/100/53386
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