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Manuscript title: Hydrogen Evolution Reaction Screening of Single-Atom anchored Ti3C2O2 MXenes for Selective CO2 Reduction
Journal: J. Mater. Chem. A
DOI: 10.1039/D6TA04296A
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | George, Gibu | |
| dc.date.accessioned | 2026-05-14T17:45:00Z | - |
| dc.date.available | 2026-09-14T07:54:01Z | - |
| dc.date.created | 2026-05-14T19:44:45.161716+02:00 | |
| dc.date.issued | 2026-05-14T19:44:45.161716+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/120329 | - |
| dc.description.abstract | hollowti | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: Hydrogen Evolution Reaction Screening of Single-Atom anchored Ti3C2O2 MXenes for Selective CO2 Reduction DOI: 10.1039/D6TA04296A Journal: J. Mater. Chem. A | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-438 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/D6TA04296A | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /MXene_paper/Ti3C2O2_calculations/O14/Pd/hollowti hollowti | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -547.35486504 | |
| cml.energy.units | eV | |
| cml.formula.generic | C18HO14PdTi26 | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Ti3C2O2 MXenes - DOI: 10.19061/iochem-bd-1-438 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/120329
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