ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation
Journal: Nat. Commun.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | García Muelas, Rodrigo | - |
| dc.date.accessioned | 2019-05-06T14:31:41Z | - |
| dc.date.available | 2019-09-12T16:11:30Z | - |
| dc.date.created | 2019-05-06T16:31:39.872+02:00 | - |
| dc.date.issued | 2019-05-06T16:31:39.872+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/20209 | - |
| dc.description | H₂* on CP catalyst with 1 Pd | - |
| dc.publisher | ETH Zurich | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation DOI: 10.1038/s41467-019-11349-9 Journal: Nat. Commun. | * |
| dc.relation.uri | http://dx.doi.org/10.1038/s41467-019-11349-9 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | methanol production | - |
| dc.subject | Microkinetics | - |
| dc.subject | Pd-promoted indium oxide | - |
| dc.subject | CO2 reduction | - |
| dc.subject | Pd-promoted In2O3 | - |
| dc.subject | bixbyite | - |
| dc.subject | co-precipitation | - |
| dc.subject | dry-impregnation | - |
| dc.subject | PBE | - |
| dc.title | CP-1Pd-i11 | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-05-06T14:31:41Z | - |
| 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 | Closed shell | en |
| cml.energy.value | -1095.58652111 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | H2In79O119Pd | 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: | Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation - DOI: 10.19061/iochem-bd-1-106 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/20209
Item files in Browse 
HTML5 resume (see conditions inside)