Slot: solvation_model
Implicit solvation model used to account for aqueous environment
(e.g. VASPsol, SCCS/Environ, COSMO).
URI: coremeta4cat:solvation_model Alias: solvation_model
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| AqueousStability | Electrochemical (Pourbaix) stability of a catalyst in aqueous solution as a function of pH and electrode potential. Critical for electrocatalyst stability screening. |
no |
Properties
-
Range: String
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | coremeta4cat:solvation_model |
| native | coremeta4cat:solvation_model |
LinkML Source
name: solvation_model
description: 'Implicit solvation model used to account for aqueous environment
(e.g. VASPsol, SCCS/Environ, COSMO).'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:solvation_model
alias: solvation_model
domain_of:
- AqueousStability
range: string
multivalued: true