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


  • cross_section – precursor molecule integral dissociation cross-section, nm^2


  • 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


  • 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