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Manuscript title: Single atoms of indium on hafnia enable superior CO2-based methanol synthesis
Journal: Nat. Nanotechnol.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ritopecki, Milica | |
| dc.date.accessioned | 2025-12-02T17:18:54Z | - |
| dc.date.available | 2026-03-02T11:27:02Z | - |
| dc.date.created | 2025-12-02T18:09:59.132044+01:00 | |
| dc.date.issued | 2025-12-02T18:09:59.132044+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/109501 | - |
| dc.description.abstract | Band-gap simulation for slab m-ZrO₂ computed with meta-GGA r²SCAN | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: Single atoms of indium on hafnia enable superior CO2-based methanol synthesis DOI: 10.1038/s41565-026-02135-y Journal: Nat. Nanotechnol. | * |
| dc.relation.uri | http://dx.doi.org/10.1038/s41565-026-02135-y | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /Band-gap-characterization/r2SCAN m-ZrO₂-slab | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 6.4.2 | |
| cml.program.other | 20Jul23 (build Apr 19 2024 10:32:06) complex | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -728.47613097 | |
| cml.energy.units | eV | |
| cml.formula.generic | O32Zr16 | |
| cml.calculationtype | Single point | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | InHfOx_InZrOx - DOI: 10.19061/iochem-bd-1-387 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/109501
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