Tandem schema
PerovskiteTandemSolarCell¶
description: This is schema for representing Perovskite Tandem Solar Cells. The descriptions in the quantities represent the instructions given to the user who manually curated the data.
inherits from: nomad.datamodel.data.EntryData, nomad.datamodel.metainfo.plot.PlotSection
properties:
| name | type | |
|---|---|---|
| general | perovskite_solar_cell_database.schema_packages.tandem.tandem.General |
General information about the device.sub-section |
| reference | perovskite_solar_cell_database.schema_packages.tandem.reference.Reference |
The reference for the data in the entry.sub-section |
| layer_stack | perovskite_solar_cell_database.schema_packages.tandem.tandem.Layer |
The stack of layers in the device starting from the bottom.sub-section, repeats |
| measurements | perovskite_solar_cell_database.schema_packages.tandem.measurements.PerformedMeasurements |
The measurements performed on the device.sub-section |
normalization without further documentation
Elemental¶
description: A section describing a substance that is an element.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| name | str |
Name of the ion. |
| element | ['Ac', 'Ag', 'Al', 'Am', 'Ar', 'As', 'At', 'Au', 'B', 'Ba', 'Be', 'Bh', 'Bi', 'Bk', 'Br', 'C', 'Ca', 'Cd', 'Ce', 'Cf', 'Cl', 'Cm', 'Cn', 'Co', 'Cr', 'Cs', 'Cu', 'Db', 'Ds', 'Dy', 'Er', 'Es', 'Eu', 'F', 'Fe', 'Fl', 'Fm', 'Fr', 'Ga', 'Gd', 'Ge', 'H', 'He', 'Hf', 'Hg', 'Ho', 'Hs', 'I', 'In', 'Ir', 'K', 'Kr', 'La', 'Li', 'Lr', 'Lu', 'Lv', 'Mc', 'Md', 'Mg', 'Mn', 'Mo', 'Mt', 'N', 'Na', 'Nb', 'Nd', 'Ne', 'Nh', 'Ni', 'No', 'Np', 'O', 'Og', 'Os', 'P', 'Pa', 'Pb', 'Pd', 'Pm', 'Po', 'Pr', 'Pt', 'Pu', 'Ra', 'Rb', 'Re', 'Rf', 'Rg', 'Rh', 'Rn', 'Ru', 'S', 'Sb', 'Sc', 'Se', 'Sg', 'Si', 'Sm', 'Sn', 'Sr', 'Ta', 'Tb', 'Tc', 'Te', 'Th', 'Ti', 'Tl', 'Tm', 'Ts', 'U', 'V', 'W', 'Xe', 'Y', 'Yb', 'Zn', 'Zr'] |
The symbol of the element, e.g. 'Pb'. |
| coefficient | float |
Coefficient for the element. - If a coefficient is unknown, leave the field empty. - If there are uncertainties in the coefficient, only state the best estimate, e.g. write 0.4 and not 0.3-0.5. - If the coefficients are not known precisely, a good guess is worth more than to state that we have absolutely no idea. |
Substance¶
description: A section describing a pure substance, i.e. a chemical compound or a material.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| name | str |
The name of the substance. |
| supplier | str |
The supplier of the substance. |
| purity | str |
The purity of the substance. |
| molar_concentration | float |
The molarity of the substance.unit=mole / liter |
| mass_concentration | float |
The mass concentration of the substance.unit=gram / liter |
| mass_fraction | float |
The mass fraction of the substance. |
| volume_fraction | float |
The volume fraction of the substance. |
| volume | float |
The volume of the substance.unit=milliliter |
| age | float |
The age of the substance.unit=minute |
| temperature | float |
The temperature of the substance.unit=kelvin |
ReactionComponent¶
description: A section describing a reactant in a synthesis step.
inherits from: Substance
Solvent¶
description: A section describing a solvent for a wetchemical synthesis process.
inherits from: Substance
properties:
| name | type | |
|---|---|---|
| mixing_ratio | float |
The mixing ratio of the solvent. |
QuenchingSolvent¶
description: A section describing a quenching solvent.
inherits from: Solvent
properties:
| name | type | |
|---|---|---|
| additives | Substance |
sub-section, repeats |
SynthesisStep¶
description: A section describing a general synthesis step.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| name | str |
The name of the process step. |
DepositionStep¶
description: A section describing a general deposition step. More specific deposition steps are inherited from this class.
inherits from: SynthesisStep
properties:
| name | type | |
|---|---|---|
| name | str |
Name of the the synthesis step |
| aggregation_state_of_reactants | ['Gas', 'Liquid', 'Solid', 'Unknown'] |
The physical state of the reactants. - The three basic categories are Solid/Liquid/Gas - Most cases are clear cut, e.g. spin-coating involves species in solution and evaporation involves species in gas phase. For less clear-cut cases, consider where the reaction really is happening as in: - For a spray-coating procedure, it is droplets of liquid that enters the substrate (thus a liquid phase reaction) - For sputtering and thermal evaporation, it is species in gas phase that reaches the substrate (thus a gas phase reaction) |
| atmosphere | ['Air', 'Ar', 'Dry air', 'N2', 'O2', 'Unknown', 'Vacuum'] |
The atmosphere present during the synthesis stepdefault=Unknown |
| pressure_total | float |
The total pressure during each synthesis stepunit=millibar |
| humidity_relative | float |
The relative humidity in the storage atmosphere.unit=dimensionless |
| temperature_substrate | float |
The temperature of the substrate during the synthesis stepunit=kelvin |
| temperature_maximum | float |
The maximum temperature reached during the synthesis stepunit=kelvin |
| reactants | ReactionComponent |
The reactants used in the synthesis stepsub-section, repeats |
LiquidSynthesis¶
description: A section describing a wet chemical synthesis step such as spin-coating or dip-coating.
inherits from: DepositionStep
properties:
| name | type | |
|---|---|---|
| solvent | Solvent |
The solvents used in the synthesis stepsub-section, repeats |
| quenching_solvent | QuenchingSolvent |
The quenching solvent used in the synthesis stepsub-section, repeats |
GasPhaseSynthesis¶
description: A section describing a gas phase synthesis step such as CVD or PVD.
inherits from: DepositionStep
properties:
| name | type | |
|---|---|---|
| pressure_partial | float |
The partial pressure of the gas phase reactantsunit=millibar |
Cleaning¶
description: A cleaning procedure as a synthesis step.
inherits from: SynthesisStep
properties:
| name | type | |
|---|---|---|
| steps | str |
The steps in the cleaning procedureshape=['*'] |
normalization without further documentation
ThermalAnnealing¶
description: A section describing a thermal annealing step.
inherits from: SynthesisStep
properties:
| name | type | |
|---|---|---|
| temperature | float |
The temperature during the thermal annealing stepunit=kelvin |
| duration | float |
The duration of the thermal annealing stepunit=minute |
| atmosphere | ['Air', 'Ar', 'Dry air', 'N2', 'O2', 'Unknown', 'Vacuum'] |
The atmosphere present during the synthesis stepdefault=Unknown |
| pressure_total | float |
The total pressure during each synthesis stepunit=millibar |
| humidity_relative | float |
The relative humidity in the storage atmosphere.unit=dimensionless |
normalization without further documentation
SolventAnnealing¶
description: A section describing a solvent annealing step.
inherits from: ThermalAnnealing
properties:
| name | type | |
|---|---|---|
| atmosphere | str |
The solvent used in this annealing step.default=Unknown |
| point_in_time | ['After', 'Before', 'Under'] |
The timing of the solvent annealing with respect to the thermal annealing step under which the perovskite is formed. There are three options. - The solvent annealing is conducted before the perovskite is formed. - The solvent annealing is conducted under the same annealing step in which the perovskite is formed - The solvent annealing is conducted after the perovskite has formed. |
normalization without further documentation
SurfaceTreatment¶
description: A section describing a surface treatment step.
inherits from: SynthesisStep
properties:
| name | type | |
|---|---|---|
| method | str |
The method used for the surface treatment. |
normalization without further documentation
Synthesis¶
description: A section describing the synthesis of a layer.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| origin | ['Commercial', 'Lab made', 'Unknown'] |
Origin of the layer |
| supplier | str |
The supplier of a commercially purchased layer |
| supplier_brand | str |
The specific brand name of a commercially purchased layer |
| process_steps | SynthesisStep |
sub-section, repeats |
Storage¶
description: A section describing the storage conditions of a sample before the next layer is deposited.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| atmosphere | ['Air', 'Ambient', 'Ar', 'Dry Air', 'N2', 'Vacuum'] |
The atmosphere in which the sample is stored. |
| humidity_relative | float |
The relative humidity in the storage atmosphere.unit=dimensionless |
| time_until_next_step | float |
The time between the perovskite stack is finalised and the next layer is deposited.unit=hour |
LayerComposition¶
description: A section describing the composition of a layer.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| impurities | Elemental |
sub-section, repeats |
| additives | Substance |
sub-section, repeats |
LayerProperties¶
description: A section storing general properties of a layer.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| thickness | float |
The thickness of the layerunit=nanometer |
| area | float |
The area of the layerunit=centimeter ** 2 |
| surface_roughness | float |
The root mean square value of the surface roughnessunit=nanometer |
Layer¶
description: General layer class for inheriting specific layer types.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| name | str |
The name of the layer |
| functionality | ['Anti reflective coating', 'Back contact', 'Back reflector', 'Beam splitter', 'Buffer layer', 'Down conversion', 'ETL', 'Encapsulant', 'Front contact', 'HTL', 'Photoabsorber', 'Recombination layer', 'Self assembled monolayer', 'Subcell spacer', 'Substrate', 'Upconversion', 'Window layer'] |
The functionality of the layer |
| properties | LayerProperties |
sub-section |
| composition | LayerComposition |
sub-section |
| synthesis | Synthesis |
sub-section |
| storage | Storage |
sub-section |
NonAbsorbingLayer¶
inherits from: Layer
Substrate¶
inherits from: NonAbsorbingLayer
normalization without further documentation
PhotoAbsorberProperties¶
description: A section storing general properties of a photoabsorber layer.
inherits from: LayerProperties
properties:
| name | type | |
|---|---|---|
| bandgap | float |
The band gap of the photoabsorberunit=electron_volt |
| bandgap_graded | bool |
TRUE if the band gap varies as a function of the vertical position in the photoabsorber layer |
| bandgap_estimation_basis | ['Absorption', 'Absorption Tauc-plot', 'Composition', 'EQE', 'Literature', 'UPS', 'Unknown', 'XPS'] |
The method by which the band gap was estimated. The band gap can be estimated from absorption data, EQE-data, UPS-data, or it can be estimated based on literature values for the recipe, or it could be inferred from the composition and what we know of similar but not identical compositions. |
| PL_max | float |
The wavelength of the maximum PL intensityunit=nanometer |
| perovskite_inspired | bool |
TRUE if the photoabsorber is perovskite inspired. In the literature we sometimes see cells based on non-perovskite photo absorbers, but which claims to be “perovskite inspired” regardless if the crystal structure has any resemblance to the perovskite ABC3 structure or not. This category is for enabling those cells to easily be identified and filtered.default=False |
PhotoAbsorber¶
description: A section describing a photoabsorber layer.
inherits from: Layer
properties:
| name | type | |
|---|---|---|
| properties | PhotoAbsorberProperties |
sub-section |
normalization without further documentation
PerovskiteLayerProperties¶
description: A section storing general properties of a perovskite layer.
inherits from: PhotoAbsorberProperties
properties:
| name | type | |
|---|---|---|
| single_crystal | bool |
TRUE if the perovskite layer is single crystal, FALSE if it is polycrystalline.default=False |
| inorganic | bool |
TRUE if the perovskite layer is inorganic, FALSE if it is organic. |
| lead_free | bool |
TRUE if the perovskite layer is lead-free, FALSE if it contains lead. |
PerovskiteLayer¶
description: A section describing a perovskite layer.
inherits from: PhotoAbsorber
properties:
| name | type | |
|---|---|---|
| composition | perovskite_solar_cell_database.composition.PerovskiteCompositionSection |
sub-section |
| properties | PerovskiteLayerProperties |
sub-section |
normalization without further documentation
SiliconLayerProperties¶
description: A section storing general properties of a silicon layer.
inherits from: PhotoAbsorberProperties
properties:
| name | type | |
|---|---|---|
| cell_type | str |
The type of silicon cell. Examples: AL-BSF, c-type, HIT, Homojunction, n-type, PERC, PERC n-type c-Si bifacial SC/nFAB, PERL, Single heterojunction |
| silicon_type | ['Amorphous', 'CZ', 'Float-zone', 'Monocrystaline', 'Polycrystaline', 'Unknown'] |
The type of silicon used in the layer |
| doping_sequence | ['i-Si', 'i-aSi', 'n-SI', 'n-Si', 'n-aSi', 'p-Si', 'p-aSi'] |
The doping sequence of the silicon, starting from the bottom |
SiliconLayer¶
description: A section describing a silicon layer.
inherits from: PhotoAbsorber
properties:
| name | type | |
|---|---|---|
| cell_type | str |
The type of silicon cell. Examples: AL-BSF, c-type, HIT, Homojunction, n-type, PERC, PERC n-type c-Si bifacial SC/nFAB, PERL, Single heterojunction |
| silicon_type | ['Amorphous', 'CZ', 'Float-zone', 'Monocrystaline', 'Polycrystaline', 'Unknown'] |
The type of silicon used in the layer |
| doping_sequence | ['i-Si', 'i-aSi', 'n-SI', 'n-Si', 'n-aSi', 'p-Si', 'p-aSi'] |
The doping sequence of the silicon, starting from the bottom |
| properties | SiliconLayerProperties |
sub-section |
normalization without further documentation
ChalcopyriteAlkaliAdditives¶
inherits from: Substance
properties:
| name | type | |
|---|---|---|
| source | str |
The source of the alkali metal doping. Example: none, RbF, RbI, Substrate |
ChalcopyriteLayerComposition¶
description: A section describing the composition of a chalcopyrite layer.
inherits from: LayerComposition
properties:
| name | type | |
|---|---|---|
| ions | Elemental |
sub-section, repeats |
| additives | ChalcopyriteAlkaliAdditives |
sub-section, repeats |
ChalcopyriteLayer¶
description: A section describing a chalcopyrite layer.
inherits from: PhotoAbsorber
properties:
| name | type | |
|---|---|---|
| composition | ChalcopyriteLayerComposition |
sub-section |
normalization without further documentation
SubCell¶
description: A section describing a sub cell in a tandem solar cell.
inherits from: nomad.datamodel.data.ArchiveSection
properties:
| name | type | |
|---|---|---|
| area | float |
The area of the sub cellunit=centimeter ** 2 |
| module | bool |
TRUE if a sub cell is in the form of a module, FALSE if it is a single cell It is for example possible to have a silicon bottom cell and a perovskite module as a top cell. In that case this would be marked as FALSE |
| commercial_unit | bool |
TRUE if the sub cell was bought commercially, FALSE if it is a lab-made unit |
| supplier | str |
Origin of the subcell. This will most often be a company or the lab of a research group |
General¶
description: This section stores general configuration information about a tandem solar cell.
inherits from: nomad.datamodel.data.EntryData
properties:
| name | type | |
|---|---|---|
| architecture | ['Monolithic', 'Other', 'Stacked'] |
The general architecture of the tandem device. For 4-terminal devices and other configurations where there are two independent sub cells simply stacked on top of each other, define this as “stacked”default=Other |
| number_of_terminals | int |
The number of terminals in the device. The most common configurations are 2 and 4 |
| number_of_junctions | int |
The number of junctions in the device. |
| number_of_cells | int |
The number of individual solar cells, or pixels, on the substrate on which the reported cell is madedefault=0 |
| photoabsorber | ['BHJ', 'CIGS', 'DSSC', 'OPV', 'OSC', 'Perovskite', 'Silicon'] |
List of the photoabsorbers starting from the bottom of the device stack.shape=['*'] |
| photoabsorber_bandgaps | float |
List of the band gap values of the respective photo absorbers. - The layers must line up with the previous filed. - State band gaps in eV - If there are uncertainties, state the best estimate, e.g write 1.5 and not 1.45-1.55 - Every photo absorber has a band gap. If it is unknown, state this as ‘nan’shape=['*'] |
| stack_sequence | str |
The stack sequence describing the cell. - If two materials, e.g. A and B, are mixed in one layer, list the materials in alphabetic order and separate them with semicolons, as in (A; B) - The perovskite layer is stated as “Perovskite”, regardless of composition, mixtures, dimensionality etc. There are plenty of other fields specifically targeting the perovskite. - If a material is doped, or have an additive, state the pure material here and specify the doping in the columns specifically targeting the doping of those layers. - There is no sharp well-defined boundary between a when a material is best considered as doped to when it is best considered as a mixture of two materials. When in doubt if your material is doped or a mixture, use the notation that best capture the metaphysical essence of the situation - Use common abbreviations when possible but spell it out when there is risk for confusion. For consistency, please pay attention to the abbreviation specified under the headline Abbreviations found tandem instructions v4.0 document.shape=['*'] |
| area | float |
The total area of the device.unit=centimeter ** 2 |
| area_measured | float |
The effective area of the cell during IV and stability measurements under illumination. If measured with a mask, this corresponds to the area of the hole in the mask. Otherwise this area is the same as the total cell area.unit=centimeter ** 2 |
| flexibility | bool |
TRUE if the device is flexible and bendable, FALSE if it is rigid.default=False |
| semitransparent | bool |
TRUE if the device is semitransparent which usually is the case when there are no thick completely covering metal electrodes. FALSE if it is opaque.default=False |
| contains_textured_layers | bool |
TRUE if the device contains textured layers with the purpose of light management.default=False |
| contains_antireflectie_coating | bool |
TRUE if the device contains one or more anti reflective coatings.default=False |
| subcell | SubCell |
The sub cells in the devicesub-section, repeats |
normalization without further documentation