Precursor parameters file#
An example of a precursor parameters file can be found in the Examples folder of the repository.
Precursor parameters list:#
Base parameters:
name – a common name of the selected precursor
formula - a chemical formula of the precursor ,i,e ‘Me3PtCpMe’
molar_mass_precursor – molecular mass of the precursor molecule, g/mol
max_density - maximum site density of the precursor, 1/nm^2
dissociated_volume – deposited material volume resulting from dissociation of s single molecule, nm^3
sticking_coefficient – a probability that a precursor molecule adheres to the surface upon collision
P_vap: precursor vapor pressure in the chamber, Pa
Dissociation:
cross_section – precursor molecule integral dissociation cross-section, nm^2
Diffusion:
diffusion_coefficient – surface diffusion coefficient , nm^2/s
diffusion_activation_energy* – activation energy of the diffusion in its Arrhenius equation, eV
diffusion_prefactor* – prefactor in diffusion Arrhenius equation, nm^2/s
Desorption:
residence_time – a mean time a precursor molecule stays on the surface, µs
adsorption_activation_energy* – activation energy of the adsorption in the residence time Arrhenius equation, eV
desorption_attempt_frequency* – a frequency, at which a molecule attempts to desorb from the surface, Hz
Deposit parameters list:#
deposit – chemical formula reflecting resulting deposit composition
molar_mass_deposit – molecular mass of the given formula, g/mol
SE_emission_activation_energy – energy required to emit a secondary electron, eV
SE_mean_free_path – secondary electron mean free path nm
average_element_number – average or effective atomic number of the given formula
average_element_mol_mass – average molecular mass of the given formula g/mol
average_density – deposit mass density, g/cm^3
thermal_conductivity – thermal conductivity of the bulk deposit, W/nm/K
* – parameters required for temperature tracking