ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Co-doped Hydroxyapatite as Photothermal Catalyst for Selective CO2 Hydrogenation
Journal: Appl. Catal., B
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Nikačević, Pavle | - |
| dc.date.accessioned | 2023-01-20T15:58:47Z | - |
| dc.date.available | 2023-04-21T10:53:15Z | - |
| dc.date.created | 2023-01-20T16:58:46.058+01:00 | - |
| dc.date.issued | 2023-01-20T16:58:46.058+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/53720 | - |
| dc.description | adsorbed CO to atop site | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Co-doped Hydroxyapatite as Photothermal Catalyst for Selective CO2 Hydrogenation DOI: 10.1016/j.apcatb.2023.122790 Journal: Appl. Catal., B | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-263 | - |
| dc.relation.uri | http://dx.doi.org/10.1016/j.apcatb.2023.122790 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Geometries_and_energies/Co/0001 CO_atop | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-01-20T15:58:47Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -256.79814292 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | CCo36O | 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: | CoHAP_simulations - DOI: 10.19061/iochem-bd-1-263 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/53720
Item files in Browse 
HTML5 resume (see conditions inside)