ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Cobalt Hexacyanoferrate on BiVO4 Photoanodes for Robust Water Splitting
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Hegner, Franziska Simone | - |
| dc.date.accessioned | 2017-04-12T09:42:10Z | - |
| dc.date.available | 2017-10-12T09:56:37Z | - |
| dc.date.created | 2017-04-12T11:42:01.374+02:00 | - |
| dc.date.issued | 2017-04-12T11:42:01.374+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/2145 | - |
| dc.description | Spin polarised HSE03 calculation of the high spin state of CoFe-PB with VEX = 20% | - |
| dc.publisher | Institute of Advanced Materials (INAM), Universitat Jaume I, Castelló de la Plana | - |
| dc.publisher | Institute of Chemical Research of Catalonia, Tarragona | - |
| dc.relation | Original title: Cobalt Hexacyanoferrate on BiVO4 Photoanodes for Robust Water Splitting DOI: 10.1021/acsami.7b09449 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-50 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Water splitting | - |
| dc.subject | Water solvation | - |
| dc.subject | Photoanode | - |
| dc.subject | Hybrid functionals, Prussian blue, Magnetic structures, Metal cyanides | - |
| dc.subject | Synergistic wateroxidation | - |
| dc.subject | Density functional calculations | - |
| dc.subject | Photocatalysis | - |
| dc.subject | Prussian blue | - |
| dc.title | hsls_KCoFe(CN)6_HSE03-20 | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-04-12T09:42:10Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.3 | en |
| cml.program.other | 18Dez12 (build Jan 20 2015 09:11:32) gamma-only | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -586.63502137 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | N/A | 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: | Photoanodes_BiVO4_CoFe-PB - DOI: 10.19061/iochem-bd-1-50 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/2145
Item files in Browse 
HTML5 resume (see conditions inside)