Slot: id

A slot to provide an URI for an entity within this schema.

Applicable Classes

Name	Description	Modifies Slot
PlugFlowReactor	Plug flow reactor (PFR) — a tubular reactor in which reactant composition varies along the axis with no axial mixing.	no
InfraredSpectroscopy	Infrared spectroscopy (FTIR/ATR) for functional group and surface species identification.	no
CatalysisPlan	A CoreMeta4Cat specialization of DCAT-AP-PLUS's Plan that adds a persistent identifier (id). Plan itself (external, dcat-ap-plus) only lists title/description -- every CoreMeta4Cat protocol, technique, and method class needs to be independently citable and cross-referenceable (e.g. linked to from multiple Reaction/Characterization instances that reuse the same protocol), so id is added once here rather than repeated on each of PreparationMethod, CharacterizationTechnique, SimulationMethod, and ProductIdentificationMethod individually.	no
DRIFTS	Diffuse reflectance infrared Fourier transform spectroscopy for in-situ surface species identification under reactive gas conditions.	no
EvaluatedEntity	An Entity that is being evaluated in a DataGeneratingActivity.	no
Entity	A physical, digital, conceptual, or other kind of thing with some fixed aspects; entities may be real or imaginary.	no
CharacterizationTechnique	An abstract Plan describing the analytical protocol used to characterize a catalyst. Concrete subclasses specify technique-specific parameters. Linked from Characterization via realized_plan.	no
DissolvingSubstance	A liquid ChemicalSubstance that dissolves or that is capable of dissolving a ChemicalSubstance.	no
AnalysisSourceData	Information that was evaluated within a DataAnalysis.	no
Software	An instrument composed of a series of instructions that can be interpreted by or directly executed by a computer.	no
Activity	See DCAT-AP specs:Activity	no
CatalyticReaction	A ChemicalReaction (chemdcat-ap) specialization representing the catalytic reaction being studied. Inherits the generic reaction slots (starting materials, reactants, products, catalyst, solvent, reactor, temperature, pressure, yield, reaction steps) from ChemicalReaction and adds catalysis-specific operating-condition slots. Reaction is NOT a DataGeneratingActivity — it is the catalytic process being observed, not the process that generates the dataset. A CatalysisDataset is linked to the Reaction it is about via is_about_activity. For operando experiments (e.g. in-situ XRD during a reaction), the dataset carries both: was_generated_by: Characterization (the measurement producing data) is_about_activity: Reaction (the catalytic process being monitored) The reactor is linked via the inherited used_reactor slot (is_a: carried_out_by), narrowed here to require a ChemicalReactor instance rather than touching the generic carried_out_by relation directly. Reactants are linked via the inherited used_reactant slot (range: Reagent) -- CatalyticReaction does not declare its own reactant slot. The type of catalytic reaction (e.g. ammonia synthesis, CO oxidation) is expressed via rdf_type using a voc4cat or ChemO term.	no
MolecularDynamics	Molecular dynamics simulation — a method for computing the time evolution of a system of interacting particles by integrating the equations of motion. Used to study diffusion, reaction kinetics, and thermal properties.	no
EvaluatedActivity	An activity or process that is being evaluated in a DataGeneratingActivity.	no
DepositionPrecipitation	Catalyst preparation by deposition-precipitation: the active phase is precipitated directly onto the support surface.	no
DataGeneratingActivity	An Activity (process) that has the objective to produce information (in form of a dataset) about another Activity or Entity.	no
Document	See DCAT-AP specs:Document	no
ExsolutionSynthesis	Catalyst preparation by exsolution: metal nanoparticles are grown on a perovskite oxide surface by reduction/oxidation cycling.	no
TransmissionElectronMicroscopy	TEM for atomic-resolution imaging and diffraction of catalyst particles.	no
MicrowaveAssisted	Catalyst preparation using microwave irradiation to rapidly and uniformly heat the reaction mixture.	no
TPR	Temperature-programmed reduction for reducibility and metal-support interaction characterization.	no
ReactionMonitoring	A DataGeneratingActivity that produces data about a ChemicalReaction, such as reaction monitoring, experimental documentation, or a combined recording-and-evaluation workflow. This is a coarse-grained convenience shape that does not distinguish between raw experimental recording and subsequent data evaluation. Domain-specific sub-profiles that need this distinction should define their own DataGeneratingActivity subclasses and use the DCAT-AP+ DataAnalysis chain to separate raw data from derived results.	no
FluidizedBedReactor	Fluidized bed reactor — a reactor in which the catalyst particles are suspended in an upward-flowing gas or liquid stream.	no
LegalResource	See DCAT-AP specs:LegalResource	no
Microkinetics	Microkinetic modelling — a mean-field kinetic approach that integrates elementary reaction steps and their rate constants to predict catalytic activity and selectivity under reaction conditions.	no
Sublimation	Catalyst preparation by sublimation: a solid precursor is vaporised and deposited onto a substrate without passing through a liquid phase.	no
TPO	Temperature-programmed oxidation for coke quantification and reoxidation characterization.	no
CombustionSynthesis	Catalyst preparation by combustion of a fuel/oxidizer mixture, producing metal oxide catalysts in a single rapid step.	no
CyclicVoltammetry	Cyclic voltammetry for electrochemical activity, redox potential, and capacitance characterization.	no
AtomicLayerDeposition	Catalyst preparation by atomic layer deposition (ALD): sequential self-limiting surface reactions deposit a conformal thin film of active phase onto a substrate.	no
ICPAES	Inductively coupled plasma atomic emission spectroscopy for bulk elemental composition.	no
Characterization	A DataGeneratingActivity in which a catalyst sample or catalytic material is characterized using an analytical technique. The catalyst sample being characterized is linked via evaluated_entity. The analytical protocol is linked via realized_plan using a CharacterizationTechnique instance. The instrument used is linked via carried_out_by as a Device. The specific technique type is expressed via rdf_type using an ontology term (e.g. CHMO:0000158 for powder XRD, CHMO:0000404 for XPS), following DCAT-AP-PLUS Pattern 3 — exactly as NMRSpectroscopy uses rdf_type: CHMO:0000613.	no
ElementalAnalysis	Combustion elemental analysis (CHNS/O) for carbon, hydrogen, nitrogen, sulfur content.	no
FixedBedReactor	Fixed bed reactor — a tubular reactor packed with a stationary catalyst bed. The most common reactor type in heterogeneous catalysis testing.	no
DefinedTerm	A word, name, acronym or phrase that is defined in a controlled vocabulary (CV) and that is used to provide an additional rdf:type or dcterms:type of a class within this schema.	no
CatalystSample	A MaterialSample that is the product of a catalyst Synthesis. The specific type of catalyst (e.g. heterogeneous, supported metal) is expressed via rdf_type using a VOC4CAT term.	no
ScanningElectronMicroscopy	SEM for surface morphology and particle size/shape imaging.	no
Impregnation	Catalyst preparation by impregnation: a solution of the active phase precursor is brought into contact with the support material.	no
Catalyst	A ChemicalSubstance or MaterialEntity that initiates or accelerates a ChemicalReaction without itself being affected.	no
Autoclave	Autoclave reactor — a sealed pressure vessel for batch reactions at elevated temperature and/or pressure.	no
ChemicalReaction	A process that leads to the transformation of one set of chemical substances to another and that is the subject matter of a DataGeneratingActivity.	no
SingleCrystalXRD	Single crystal X-ray diffraction for structure determination.	no
XPS	X-ray photoelectron spectroscopy for surface elemental and chemical state analysis.	no
AgenticEntity	An entity that is somehow responsible for an Activity to take place.	no
CatalysisDataset	A dcat:Dataset that contains research data in the field of catalysis. The catalysis research field is expressed via rdf_type using a voc4cat term from CatalysisResearchFieldEnum (following DCAT-AP-PLUS Pattern 3). For example, a dataset from heterogeneous catalysis research would carry: rdf_type: id: VOC4CAT:0007001 title: "heterogeneous catalysis" The four CoreMeta4Cat minimum information pillars are linked via the slots below, each pointing to the corresponding DataGeneratingActivity or EvaluatedActivity subclass defined in the CoreMeta4Cat subprofile modules.	no
SizeExclusionChromatography	Size exclusion chromatography for molecular weight distribution determination.	no
PolymerSample	A SubstanceSample derived from a Polymer.	no
ElectrochemicalReactor	Electrochemical reactor used in electrocatalytic experiments, including H-cells, flow cells, and membrane electrode assemblies.	no
StartingMaterial	A ChemicalSubstance with that has a starting material role in a synthesis.	no
ChemicalProduct	A chemical substance that is produced by a ChemicalReaction.	no
PowderXRD	Powder X-ray diffraction for phase identification and structural analysis.	no
PhotoluminescenceLifetime	Time-resolved photoluminescence for charge carrier lifetime and recombination dynamics.	no
ElectroSprayIonizationMassSpectrometry	Electrospray ionisation mass spectrometry for molecular mass and identity determination.	no
Resource	See DCAT-AP specs:Resource	no
SimulationMethod	Abstract Plan describing the computational method (protocol) used in a Simulation. Concrete subclasses carry method-specific parameter slots. Linked from Simulation via realized_plan.	no
NMRSpectroscopy	Nuclear magnetic resonance spectroscopy for structure elucidation. Note: for detailed liquid-state NMR minimum information, the dedicated nmr_dcat_ap profile (MARGARITAS) should be used in combination with this subprofile.	no
GCMS	Gas chromatography-mass spectrometry for volatile compound identification and quantification.	no
Device	A material instrument that is designed to perform a function primarily by means of its mechanical or electrical nature.	no
HighPerformanceLiquidChromatographyMassSpectrometry	High-performance liquid chromatography-mass spectrometry for compound identification and quantification.	no
MechanochemicalSynthesis	Catalyst preparation by mechanical milling or grinding, optionally combined with thermal treatment.	no
DFT	Density functional theory — a quantum mechanical method for calculating the electronic structure of atoms, molecules, and periodic solids. The most widely used ab initio method in computational catalysis.	no
LicenseDocument	See DCAT-AP specs:LicenseDocument	no
Synthesis	A DataGeneratingActivity in which a catalyst is prepared. The preparation protocol is linked via realized_plan using a PreparationMethod instance. Input materials (Precursors) are linked via had_input_entity. The resulting catalyst (CatalystSample) is linked via had_output_entity. The type of synthesis is further specified via rdf_type using an ontology term (e.g. a VOC4CAT preparation method term), following DCAT-AP-PLUS Pattern 3.	no
Simulation	A DataGeneratingActivity in which a catalyst, catalytic material, or catalytic process is modelled computationally. The simulation software is linked via carried_out_by as a Software agent. The simulation method (protocol) is linked via realized_plan using a SimulationMethod instance. The catalyst model or reaction being simulated is linked via evaluated_entity or evaluated_activity. The specific simulation type is expressed via rdf_type (e.g. coremeta4cat:DFT, NCIT:C18097 for molecular dynamics), following DCAT-AP-PLUS Pattern 3.	no
PlasmaAssisted	Catalyst preparation using plasma treatment to modify surface properties or deposit active components.	no
EDX	Energy-dispersive X-ray spectroscopy for elemental mapping and quantification.	no
SlurryReactor	Slurry reactor — a three-phase reactor in which catalyst particles are suspended in a liquid phase through which gas is bubbled.	no
Dataset	A collection of data, published or curated by a single agent, and available for access or download in one or more representations.	no
CSTR	Continuous stirred tank reactor (CSTR) — a well-mixed, continuous-flow reactor operating at steady state.	no
SubstanceSampleCharacterizationDataset	A Dataset about a SubstanceSample that was produced by a SubstanceSampleCharacterization activity. This is a coarse-grained convenience shape that conflates measurement and analysis into a single data-generating activity. Domain-specific sub-profiles that need to distinguish raw measurement from post-processing or structure assignment should define their own Dataset subclasses, potentially using the DCAT-AP+ DataAnalysis/AnalysisDataset chain instead of reusing this class.	no
CatalysisDataGeneratingActivity	A CoreMeta4Cat specialization of DCAT-AP-PLUS's DataGeneratingActivity that adds a type designator (activity_designator). Synthesis, Characterization, and Simulation all specialize this class instead of DataGeneratingActivity directly, so that when one of them is nested inside CatalysisDataset.was_generated_by, the LinkML Python loader can tell which concrete subclass a given entry is meant to be and keep its subclass-specific fields (e.g. Characterization.realized_plan) rather than falling back to DataGeneratingActivity's own generic slot definitions. activity_designator is filled in automatically by LinkML when a class is instantiated directly (e.g. loading a standalone Synthesis-NNN.yaml file) -- it does not need to be set by hand there. It only needs to be set explicitly in the source data when a Synthesis/Characterization/ Simulation instance is nested inside another object's was_generated_by list (e.g. in a combined CatalysisDataset file), so the loader knows which of the three to construct.	no
AnalysisDataset	A Dataset that was generated by an analysis of some previously generated data. For example, a dataset that contains the data of an assignment of a chemical structure to a sample based on the spectral data obtained from the sample is an AnalyticalDataset.	no
DataAnalysis	An Activity that evaluates the data produced by another Activity.	no
Solvothermal	Catalyst preparation under elevated temperature and pressure in a sealed vessel using a non-aqueous solvent.	no
SubstanceSample	A MaterialSample derived from a chemical substance that is of interest in an analytical procedure.	no
Atom	An Entity constituting the smallest component of a chemical element having the chemical properties of the element.	no
FlameSprayPyrolysis	Catalyst preparation by flame spray pyrolysis (FSP): a liquid precursor solution is atomised and combusted in a flame to produce nanoparticles.	no
BET	Brunauer-Emmett-Teller analysis for specific surface area and pore size distribution.	no
ChemicalEntity	Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.	no
PreparationMethod	An abstract Plan describing the protocol used to prepare a catalyst. Concrete subclasses (Impregnation, CoPrecipitation, …) specify the method-specific parameters. Linked from Synthesis via realized_plan. The specific preparation method type should additionally be expressed via rdf_type on the Synthesis activity using a voc4cat term (e.g. VOC4CAT:0007016 for preparation method).	no
RamanSpectroscopy	Raman spectroscopy for vibrational and structural characterization.	no
Reactor	A reactor is a container for controlling a biological or chemical reaction or process.	no
MaterialEntity	A material is an Entity that has some portion of matter as proper part.	no
SolGel	Catalyst preparation by the sol-gel process: hydrolysis and condensation of precursor molecules to form a colloidal network (gel).	no
MonteCarlo	Monte Carlo simulation — a stochastic method that samples configuration space using random moves accepted or rejected according to a statistical criterion (e.g. Metropolis). Used for adsorption isotherms, phase diagrams, and lattice-based kinetics.	no
Reagent	A ChemicalSubstance that is consumed or transformed in a ChemicalReaction.	no
Precursor	A MaterialSample that serves as input material in a catalyst Synthesis. Precursors are consumed or transformed during the preparation process.	no
Microreactor	Microreactor — a miniaturised flow reactor with characteristic dimensions in the sub-millimetre range, enabling precise thermal control and rapid screening.	no
PhotoluminescenceSpectroscopy	Photoluminescence spectroscopy for defect and charge carrier characterization.	no
SonochemicalSynthesis	Catalyst preparation using ultrasonic irradiation to drive chemical reactions via acoustic cavitation.	no
MolecularSynthesis	Catalyst preparation by molecular (organometallic or coordination) chemistry routes, including crystallisation and purification steps.	no
XRayAbsorptionSpectroscopy	X-ray absorption spectroscopy (XAS/XANES/EXAFS) for electronic and local structure analysis.	no
Thermogravimetry	Thermogravimetric analysis (TGA/DTG) for mass loss, decomposition, and oxidation state characterization.	no
CoPrecipitation	Catalyst preparation by co-precipitation: precursor salts are simultaneously precipitated from solution by a precipitating agent.	no
MaterialSample	A Sample that was derived from a previous MaterialSample or some other kind of MaterialEntity.	no
ConductivityMeasurement	Electrical conductivity measurement for ionic and electronic transport characterization.	no
DynamicLightScattering	Dynamic light scattering for hydrodynamic particle size distribution in suspension.	no
ProductIdentificationMethod	Abstract Plan representing the method used to identify and quantify reaction products. In practice, users should reference a concrete CharacterizationTechnique subclass from coremeta4cat_characterization_ap (e.g. GCMS, HPLC_MS, NMRSpectroscopy). This abstract class is retained for backward compatibility with the original CoreMeta4Cat monolith. It is a subclass of CatalysisPlan (which is itself a Plan, prov:Plan / OBI:0000272) so that it can participate in the realized_plan slot, and so it (and every other CoreMeta4Cat protocol/technique class) can carry a persistent id.	no
SubstanceSampleCharacterization	A DataGeneratingActivity that produces data about a SubstanceSample, such as a spectroscopic measurement, a physical property determination, or a combined measurement-and-analysis workflow. This is a coarse-grained convenience shape that does not distinguish between raw data acquisition and subsequent data processing or analysis. Domain-specific sub-profiles that need this distinction should define their own DataGeneratingActivity subclasses and use the DCAT-AP+ DataAnalysis chain to separate raw measurement from derived results.	no
ReactionMonitoringDataset	A Dataset about a ChemicalReaction that was produced by a ReactionMonitoring activity. This is a coarse-grained convenience shape that conflates experimental documentation and analysis into a single data-generating activity. Domain-specific sub-profiles that need to distinguish reaction monitoring from subsequent data evaluation should define their own Dataset subclasses, potentially using the DCAT-AP+ DataAnalysis/AnalysisDataset chain instead of reusing this class.	no
ChemicalReactor	Abstract Reactor (chemdcat-ap) subclass representing a catalytic reactor vessel. Reactor is more specific than the general Device (AgenticEntity): it restricts the used_reactor relation (is_a: carried_out_by) on Reaction to dedicated reactor equipment. This semantic distinction separates analytical instruments (Device) from reaction vessels (Reactor). ChemicalReactor further specializes chemdcat-ap's generic Reactor for catalysis use cases. Concrete subclasses (FixedBedReactor, CSTR, PlugFlowReactor, …) specify reactor geometry and operating mode. Linked from Reaction via used_reactor (restricted to range: ChemicalReactor).	no
UVVisSpectroscopy	UV-Vis spectroscopy for electronic transitions, band gap, and concentration determination.	no

Properties

Range: Uriorcurie
Required: True

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/nfdi4cat/coremeta4cat

Mappings

Mapping Type	Mapped Value
self	coremeta4cat:id
native	coremeta4cat:id

LinkML Source

name: id
description: A slot to provide an URI for an entity within this schema.
in_subset:
- domain_agnostic_core
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
identifier: true
alias: id
domain_of:
- CatalysisPlan
- Activity
- AgenticEntity
- Dataset
- DefinedTerm
- Document
- Entity
- LegalResource
- LicenseDocument
- Resource
range: uriorcurie
required: true