No other uploads linked to cell "2025_RobertaPascazio_KristinPersson_Chem.Mater._5c00916" yet.
| Material | Family | Role(s) | Ion |
| MnO2 · Manganese oxide cathode |
Manganese oxide
Cathode · as named
|
Cathode | Zn |
| V2O5 · Vanadium oxide cathode |
Vanadium oxide
Cathode · as named
|
Cathode | Zn |
| VOPO4 / NaVOPO4 · Vanadyl phosphate |
Vanadyl phosphate
Cathode · as named
|
Cathode | Zn |
| Li2CoPO4F / ZnCoPO4F · Cobalt fluorophosphate |
Fluorophosphate
Cathode · as named
|
Cathode | Zn |
| ZnCr2O4 · Zinc chromite spinel |
Spinel
Cathode
|
Cathode | Zn |
|
Zn metal
· Zinc metal anode
High-voltage Zn-ion cathode screening by DFT
|
Zinc metal
Anode · as named
|
Anode | Zn |
Declared for sample 2025_RobertaPascazio_KristinPersson_Chem.Mater._5c00916 — shared by every dataset on this sample.
| Cell Id | 2025_RobertaPascazio_KristinPersson_Chem.Mater._5c00916 |
| Software | VASP (Materials Project standard; via atomate/atomate2 automated workflow) |
| Visibility | public |
| Xc Functional | GGA-PBE (+U corrections for d-orbital transition metals; Materials Project standard) |
| System Studied | Empty-host intercalation materials for Zn²⁺ cathodes; oxides, phosphates, oxyfluorides; NASICON and tavorite structural families; TM = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Nb, Mo, Ru, Ag, W, Re, Sb, Bi |
| Pseudopotential | PAW (projector augmented-wave; Materials Project standard) |
| Publication Doi | 10.1021/acs.chemmater.5c00916 |
| Institution Code | ESRA |