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M-ZnZrOx Collection home page
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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-1-288
This dataset derived results are published in:
Manuscript title: Low-nuclearity CuZn ensembles on ZnZrOx catalyze methanol synthesis from CO₂
Journal: Nat. Commun.
View as
- ROOT
- Adsorptions
- Cu(111)
- Cu-Zn₄ZrOx
- Cu-Zn₄ZrOx-b
- CH₃O-Cu-Zn₄ZrOx-b-configurations
- CO₂-Cu-Zn₄ZrOx-b-configurations
- HCOO-Cu-Zn₄ZrOx-b-configurations
- H₂-Cu-Zn₄ZrOx-b-configurations
- Cu-Zn₄ZrOx
- CH₃O-Cu-Zn₄ZrOx-configurations
- CO-Cu-Zn₄ZrOx-configurations
- CO₂-Cu-Zn₄ZrOx-configurations
- HCOO-Cu-Zn₄ZrOx-configurations
- H₂-Cu-Zn₄ZrOx-configurations
- Cu₂-Zn₅ZrOx
- Cu₂-Zn₅ZrOx-b
- CH₃O-Cu₂-Zn₅ZrOx-b-configurations
- CO-Cu₂-Zn₅ZrOx-b-configurations
- CO₂-Cu₂-Zn₅ZrOx-b-configurations
- HCOO-Cu₂-Zn₅ZrOx-b-configurations
- H₂-Cu₂-Zn₅ZrOx-b-configurations
- Cu₂-Zn₅ZrOx
- CH₃O-Cu₂-Zn₅ZrOx-configurations
- CO-Cu₂-Zn₅ZrOx-configurations
- CO₂-Cu₂-Zn₅ZrOx-configurations
- HCOO-Cu₂-Zn₅ZrOx-configurations
- H₂-Cu₂-Zn₅ZrOx-configurations
- ZnZrOx
- Zn₅Cu₈
- CH₃O-Zn₅Cu₈-configurations
- CO-Zn₅Cu₈-configurations
- CO₂-Zn₅Cu₈-configurations
- HCOO-Zn₅Cu₈-configurations
- H₂-Zn₅Cu₈-configurations
- m-ZrO₂
- Bulks
- Cu-ZnZrOx
- Cu-Zn5ZrOx-configurations
- Cu-Zn₃ZrOx-configurations
- Cu-Zn₄ZrOx-configurations
- Cu-Zn₆ZrOx-configurations
- Cu2-Zn5ZrOx-configurations
- Cu₂-Zn₃ZrOx-configurations
- Cu₂-Zn₄ZrOx-configurations
- Cu₂-Zn₅ZrOx-OH
- Cu₂-Zn₆ZrOx-configurations
- Cu₃-Zn₅ZrOx
- Cu₄-Zn₅ZrOx
- CuZrOx
- Cu-ZrOx-1vac
- Cu-ZrOx-2vac
- CuZrO₂
- Profiles
- Cu
- Cu-CO-path
- Cu-HCOO-path
- Cu₂-Zn₅ZrOx
- ZnZrOx
- ZrO₂
- Cu
- References
- Slab-models
- ZnZrOx
- Zn₂ZrOx-configurations
- Zn₃ZrOx-configurations
- Zn₄ZrOx-configurations
- Zn₅ZrOx-3Ovac-configurations
- Zn₅ZrOx-4Ovac-configurations
- Zn₅ZrOx-configurations
- Zn₆ZrOx-configurations
- Adsorptions
Discover
Program name
- 588 vasp
Date issued
- 1 2023
Calculation type
- 558 Geometry optimization
- 18 N/A
- 12 Single point
Method
- 588 DFT