--- Project: Description: '' Name: New OLED project filename: /home/klumpers/Documents/fix_test/bb2026/runTransient/opv.bee yaml: compositions: - advanced: false description: null fractions: - fraction: 1.0 material_id: 391 generator: null id: 336 morphology: {} name: Pure PEDOT:PSS - advanced: false description: null fractions: - fraction: 1.0 material_id: 392 generator: null id: 337 morphology: {} name: Pure P3HT - advanced: false description: null fractions: - fraction: 1.0 material_id: 393 generator: null id: 338 morphology: {} name: Pure PCBM - advanced: false description: null fractions: - fraction: 1.0 material_id: 394 generator: null id: 339 morphology: {} name: Pure BCP materials: - E0_homo: 0.05 E0_lumo: 0.05 E0_singlet: 0.01 E0_triplet: 0.01 T0_homo: 1500.0 T0_lumo: 1500.0 T0_singlet: 1500.0 T0_triplet: 1500.0 add_carrier_prefactor: 0.0 classical_reorganization_energy: 0.05 description: Transport material dexter_prefactor_singlet: 1.0 dexter_prefactor_triplet: 1.0 dipole_strength: 0.0 dipole_x: 1.0 dipole_y: 1.0 dipole_z: 1.0 dos_type: Gaussian electron_prefactor: 1.0 emission_spectrum: null emission_spectrum_contents: null emission_spectrum_id: null enable_multimode: false exciton_dos_type: Gaussian extinction_coefficient_k: 0.0 harmonic_quantum_oscillator_frequency: 25000000000000.0 hole_prefactor: 1.0 homo: -5.0 id: 391 interchain_prefactor: 1.0 intrachain_prefactor: 1.0 isc_rate: 0.0 lambda_electron: 0.3 lambda_exciplex: 0.7 lambda_hole: 0.3 lambda_singlet: 0.3 lambda_triplet: 0.3 linked_energy_levels: true lumo: -2.3 m_epsilon: 3.0 mlj_modes: [] name: PEDOT:PSS number_of_vibrations: 10 optical_only: false predefined: false quadrupole_xx: 1.0 quadrupole_xy: 0.0 quadrupole_xz: 0.0 quadrupole_yy: 1.0 quadrupole_yz: 0.0 quadrupole_zz: 1.0 quantum_mechanical_reorganization_energy: 0.01 refractive_index: null refractive_index_contents: null refractive_index_id: null refractive_index_n: 1.8 risc_rate: 0.0 sigma_homo: 0.1 sigma_lumo: 0.1 sigma_singlet: 0.05 sigma_triplet: 0.05 singlet: 2.0 singlet_binding_energy: 0.7 singlet_dampening_probability: 0.0 singlet_nonrad_decay: 100000000.0 singlet_rad_decay: 0.0 spontaneous_orientation_polarisation: 0.0 st_ratio: 0.25 static_dipole_x: 0.0 static_dipole_y: 0.0 static_dipole_z: 0.0 template: transport transition_dipole_anisotropy: 0.33 triplet: 1.5 triplet_binding_energy: 1.2 triplet_dampening_probability: 0.0 triplet_nonrad_decay: 10000.0 triplet_rad_decay: 0.0 tta_ratio: 0.25 - E0_homo: 0.05 E0_lumo: 0.05 E0_singlet: 0.01 E0_triplet: 0.01 T0_homo: 1500.0 T0_lumo: 1500.0 T0_singlet: 1500.0 T0_triplet: 1500.0 add_carrier_prefactor: 0.0 classical_reorganization_energy: 0.05 description: Fluorescent dye material dexter_prefactor_singlet: 1.0 dexter_prefactor_triplet: 1.0 dipole_strength: 0.0 dipole_x: 1.0 dipole_y: 1.0 dipole_z: 1.0 dos_type: Gaussian electron_prefactor: 1.0 emission_spectrum: null emission_spectrum_contents: null emission_spectrum_id: null enable_multimode: false exciton_dos_type: Gaussian extinction_coefficient_k: 0.0 harmonic_quantum_oscillator_frequency: 25000000000000.0 hole_prefactor: 1.0 homo: -5.2 id: 392 interchain_prefactor: 1.0 intrachain_prefactor: 1.0 isc_rate: 0.0 lambda_electron: 0.3 lambda_exciplex: 0.7 lambda_hole: 0.3 lambda_singlet: 0.3 lambda_triplet: 0.3 linked_energy_levels: true lumo: -3.3 m_epsilon: 3.0 mlj_modes: [] name: P3HT number_of_vibrations: 10 optical_only: false predefined: false quadrupole_xx: 1.0 quadrupole_xy: 0.0 quadrupole_xz: 0.0 quadrupole_yy: 1.0 quadrupole_yz: 0.0 quadrupole_zz: 1.0 quantum_mechanical_reorganization_energy: 0.01 refractive_index: null refractive_index_contents: null refractive_index_id: null refractive_index_n: 1.8 risc_rate: 0.0 sigma_homo: 0.1 sigma_lumo: 0.1 sigma_singlet: 0.05 sigma_triplet: 0.05 singlet: 0.7 singlet_binding_energy: 1.2 singlet_dampening_probability: 0.0 singlet_nonrad_decay: 0.0 singlet_rad_decay: 10000000.0 spontaneous_orientation_polarisation: 0.0 st_ratio: 1.0 static_dipole_x: 0.0 static_dipole_y: 0.0 static_dipole_z: 0.0 template: fluorescent transition_dipole_anisotropy: 0.33 triplet: 0.5 triplet_binding_energy: 1.4 triplet_dampening_probability: 0.0 triplet_nonrad_decay: 0.0 triplet_rad_decay: 0.0 tta_ratio: 1.0 - E0_homo: 0.05 E0_lumo: 0.05 E0_singlet: 0.01 E0_triplet: 0.01 T0_homo: 1500.0 T0_lumo: 1500.0 T0_singlet: 1500.0 T0_triplet: 1500.0 add_carrier_prefactor: 0.0 classical_reorganization_energy: 0.05 description: Fluorescent dye material dexter_prefactor_singlet: 1.0 dexter_prefactor_triplet: 1.0 dipole_strength: 0.0 dipole_x: 1.0 dipole_y: 1.0 dipole_z: 1.0 dos_type: Gaussian electron_prefactor: 1.0 emission_spectrum: null emission_spectrum_contents: null emission_spectrum_id: null enable_multimode: false exciton_dos_type: Gaussian extinction_coefficient_k: 0.0 harmonic_quantum_oscillator_frequency: 25000000000000.0 hole_prefactor: 1.0 homo: -6.1 id: 393 interchain_prefactor: 1.0 intrachain_prefactor: 1.0 isc_rate: 0.0 lambda_electron: 0.3 lambda_exciplex: 0.7 lambda_hole: 0.3 lambda_singlet: 0.3 lambda_triplet: 0.3 linked_energy_levels: true lumo: -3.9 m_epsilon: 3.0 mlj_modes: [] name: PCBM number_of_vibrations: 10 optical_only: false predefined: false quadrupole_xx: 1.0 quadrupole_xy: 0.0 quadrupole_xz: 0.0 quadrupole_yy: 1.0 quadrupole_yz: 0.0 quadrupole_zz: 1.0 quantum_mechanical_reorganization_energy: 0.01 refractive_index: null refractive_index_contents: null refractive_index_id: null refractive_index_n: 1.8 risc_rate: 0.0 sigma_homo: 0.1 sigma_lumo: 0.1 sigma_singlet: 0.05 sigma_triplet: 0.05 singlet: 0.6 singlet_binding_energy: 1.6 singlet_dampening_probability: 0.0 singlet_nonrad_decay: 0.0 singlet_rad_decay: 10000000.0 spontaneous_orientation_polarisation: 0.0 st_ratio: 1.0 static_dipole_x: 0.0 static_dipole_y: 0.0 static_dipole_z: 0.0 template: fluorescent transition_dipole_anisotropy: 0.33 triplet: 0.3 triplet_binding_energy: 1.9 triplet_dampening_probability: 0.0 triplet_nonrad_decay: 0.0 triplet_rad_decay: 0.0 tta_ratio: 1.0 - E0_homo: 0.05 E0_lumo: 0.05 E0_singlet: 0.01 E0_triplet: 0.01 T0_homo: 1500.0 T0_lumo: 1500.0 T0_singlet: 1500.0 T0_triplet: 1500.0 add_carrier_prefactor: 0.0 classical_reorganization_energy: 0.05 description: Transport material dexter_prefactor_singlet: 1.0 dexter_prefactor_triplet: 1.0 dipole_strength: 0.0 dipole_x: 1.0 dipole_y: 1.0 dipole_z: 1.0 dos_type: Gaussian electron_prefactor: 1.0 emission_spectrum: null emission_spectrum_contents: null emission_spectrum_id: null enable_multimode: false exciton_dos_type: Gaussian extinction_coefficient_k: 0.0 harmonic_quantum_oscillator_frequency: 25000000000000.0 hole_prefactor: 1.0 homo: -6.3 id: 394 interchain_prefactor: 1.0 intrachain_prefactor: 1.0 isc_rate: 0.0 lambda_electron: 0.3 lambda_exciplex: 0.7 lambda_hole: 0.3 lambda_singlet: 0.3 lambda_triplet: 0.3 linked_energy_levels: true lumo: -2.9 m_epsilon: 3.0 mlj_modes: [] name: BCP number_of_vibrations: 10 optical_only: false predefined: false quadrupole_xx: 1.0 quadrupole_xy: 0.0 quadrupole_xz: 0.0 quadrupole_yy: 1.0 quadrupole_yz: 0.0 quadrupole_zz: 1.0 quantum_mechanical_reorganization_energy: 0.01 refractive_index: null refractive_index_contents: null refractive_index_id: null refractive_index_n: 1.8 risc_rate: 0.0 sigma_homo: 0.1 sigma_lumo: 0.1 sigma_singlet: 0.05 sigma_triplet: 0.05 singlet: 1.9 singlet_binding_energy: 1.5 singlet_dampening_probability: 0.0 singlet_nonrad_decay: 100000000.0 singlet_rad_decay: 0.0 spontaneous_orientation_polarisation: 0.0 st_ratio: 0.25 static_dipole_x: 0.0 static_dipole_y: 0.0 static_dipole_z: 0.0 template: transport transition_dipole_anisotropy: 0.33 triplet: 0.8 triplet_binding_energy: 2.6 triplet_dampening_probability: 0.0 triplet_nonrad_decay: 10000.0 triplet_rad_decay: 0.0 tta_ratio: 0.25 param_sets: - absorption_type: material-specific acceleration: false activated_exciton_reactions: false activated_foerster_transfer: true activated_isc: false alternating_voltage: false alternating_voltage_start: 0.0 alternative_reporting: null avlogging: true avlogging_pt: false buffer_output: false bulk_approximation: 1.0 bulk_approximation_xfactor: 1.0 check_field: 10000 check_position: null checkpoints: [] conserve_fluxes: true conserve_region_transitions: false consistent_binding_energy: false control_field: true control_field_step: 0.0001 control_margin: 0.01 convergence_criterium: 0.05 correlated_disorder: false correlated_excitonic_disorder: false correlation_homo_lumo: uncorrelated coulomb: true ctnbx: 1 ctnby: 1 ctnbz: 1 degradation: false degradation_disorder: true degradationlogging: false degrading: true description: Photovoltaic/photodetector simulation dexter_transfer: true dipole_range: null dipole_x: 1.0 dipole_y: 1.0 dipole_z: 1.0 electrode_approximation: 0.001 electrode_approximation_depth: 1 electrode_approximation_xfactor: 10.0 electron_prefactor: 1.0 emissionlogging: false enable_checkpoints: false enable_pulses: false epsilon: 3.0 eventlogging: false exciplex_foerster: true exciplex_thermal_generation_prefactor: 0.0 exciplex_transfer: false exciplexes: false excitonics: true exnbx: 2 exnby: 2 exnbz: 2 exproduct: automatic fast_pulses: true fermi_level_left: -4.7 fermi_level_right: -4.8 firefly_emission_angle: null firefly_emissive_layer: null firefly_lambda_max: 800 firefly_lambda_min: 350 firefly_lambda_step: 10 fluence: 300.0 foerster_orientation_factor: false foerster_transfer: true gate_type: bipolar high_precision: false hole_prefactor: 1.0 id: 233 injection_disorder: true interface_approximation: 1.0 interface_approximation_depth: 1 interface_approximation_xfactor: 1.0 lambda: 0.3 left_extraction_prefactor: 0.001 left_injection_prefactor: 0.001 mat_dipoles: true mat_quadrupoles: true mat_sop: true mat_static_dipoles: true max_simtime: -1.0 maxcarriers: 10000 minelectrons: 0 minexcitons: 0 minholes: 0 multimode_iteration_limit: 100000 multimode_method: Sparse name: OPV-P3HT-PCBM nbx: 2 nby: 2 nbz: 2 nimages: 100 nnannihilation: false nnquenching: false noutput: 1000000 nreport: 100000 ntimesteps: 100000000 ny: 50 nz: 50 optical: false optical_only: false output_anneal: 0 output_equil: 0 periodicx: false phase_resolution: 0.0036 photoluminescence: true psq: 1.0 ptq: 1.0 pulses: [] ql_alpha: 0.0 quadrupole_xx: 1.0 quadrupole_xy: 0.0 quadrupole_xz: 0.0 quadrupole_yy: 1.0 quadrupole_yz: 0.0 quadrupole_zz: 1.0 rampsteps_anneal: 1 random_seed: 3 rc: 10 rcp: 1.0 report_anneal: 100000 report_equil: 0 right_extraction_prefactor: 0.001 right_injection_prefactor: 0.001 save_absorption_events: true save_absorption_profile: true save_absorptions: true save_annihilation_events: true save_annihilation_profile: true save_annihilations: true save_carriers: true save_carriers_pt: true save_charge_profile: true save_collection_events: true save_current_profile: true save_degradation_events: true save_degradation_profile: true save_degradations: true save_disorder: true save_disorder_pt: true save_dissociation_events: true save_dissociation_profile: true save_dissociations: true save_exciplex_decay: true save_exciplex_decay_events: true save_exciplex_decay_profile: true save_exciplex_nonrad_decay: true save_exciplex_nonrad_decay_events: true save_exciplex_nonrad_decay_profile: true save_exciplex_thermal_generation: true save_exciplex_thermal_generation_events: true save_exciplex_thermal_generation_profile: true save_exciton_profile: true save_exciton_transfer_events: true save_excitonic_disorder: true save_excitonic_disorder_pt: true save_excitons: true save_excitons_pt: true save_generation_events: true save_generation_profile: true save_generations: true save_hop_events: true save_injection_events: true save_isc_events: true save_iscs: true save_kappa: true save_kappa_pt: true save_nonrad_decay_events: true save_nonrad_decay_profile: true save_nonrad_decays: true save_occupation_profiles: true save_occupations: false save_potential_profile: true save_profiles: true save_quenching_events: true save_quenching_profile: true save_quenchings: true save_recombination_events: true save_recombination_profile: true save_recombinations: true save_rng_state: true save_stats: true save_thermal_generation_events: true save_thermal_generation_profile: true save_thermal_generations: true save_transient_annihilations: false save_transient_carrier_profiles: false save_transient_carriers: false save_transient_carriers_pt: false save_transient_disorder: false save_transient_disorder_pt: false save_transient_dissociations: false save_transient_exciplex_decays: true save_transient_exciplex_nonrad_decays: true save_transient_exciplex_tgens: true save_transient_excitonic_disorder: false save_transient_excitonic_disorder_pt: false save_transient_excitons: false save_transient_excitons_pt: false save_transient_generations: false save_transient_nonrad_decays: false save_transient_occupation_profiles: false save_transient_potential_profile: false save_transient_quenchings: false save_transient_recombinations: false save_transient_thermal_generations: false sbe: 0.75 six_exciplex_neighbours_only: false six_excitonic_neighbors_only: false six_neighbors_only: false spontaneous_orientation_polarisation: 0.0 spq: 1.0 ssa: 1.0 sta: 1.0 stack_id: 209 static_dipole_x: 0.0 static_dipole_y: 0.0 static_dipole_z: 0.0 stop_when_empty: false stop_without_excitons: false sweep_variables: - '' t0: 2.99e-11 tbe: 1.0 temperature: 300.0 template: opv thermal_generation_prefactor: 0.0 timesteps_anneal: 0 timesteps_equil: 0 tpq: 1.0 transfer_type: Miller-Abrahams transistor: false tta: 1.0 tvlogging: true tvlogging_pt: false update_long_range: 100 use_material_epsilon: false var_exciton_binding_energy: true varalpha: true voltage: 0.5 voltage_amplitude: 0.0 voltage_anneal: 0.0 voltage_frequency: 100000.0 voltage_log_interval: null voltage_phase_shift: 0.0 voltage_update_interval: null x_prefactor: 1.0 y_prefactor: 1.0 z_prefactor: 1.0 zvoltage: 0.0 simulations: - description: '' id: 174 name: OPV-P3HT-PCBM sweeps: - branch: stable final_disorder: 1 first_disorder: 1 fsp_from: 300.0 fsp_name: fluence fsp_step: 5 fsp_to: 1500.0 param_set_id: 233 stacks: - absorptions: - absorption: 0.8 absorption_type: singlet layer_id: 1 material_id: 0 - absorption: 0.8 absorption_type: singlet layer_id: 2 material_id: 0 autofoerster: true cross_layer_parameters: - acceptor_layer: 0 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 1 value: 3.5 - acceptor_layer: 0 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 2 value: 3.5 - acceptor_layer: 0 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 3 value: 3.5 - acceptor_layer: 0 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 4 value: 3.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 0 value: 1.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 1 value: 3.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 2 value: 3.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 3 value: 3.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 4 value: 3.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 0 value: 1.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 1 value: 3.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 2 value: 3.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 3 value: 3.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 4 value: 3.5 - acceptor_layer: 3 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 1 value: 3.5 - acceptor_layer: 3 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 2 value: 3.5 - acceptor_layer: 3 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 3 value: 3.5 - acceptor_layer: 3 acceptor_material: 0 donor_layer: 1 donor_material: 0 interaction: 4 value: 3.5 - acceptor_layer: 0 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 1 value: 3.5 - acceptor_layer: 0 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 2 value: 3.5 - acceptor_layer: 0 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 3 value: 3.5 - acceptor_layer: 0 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 4 value: 3.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 0 value: 1.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 1 value: 3.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 2 value: 3.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 3 value: 3.5 - acceptor_layer: 1 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 4 value: 3.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 0 value: 1.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 1 value: 3.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 2 value: 3.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 3 value: 3.5 - acceptor_layer: 2 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 4 value: 3.5 - acceptor_layer: 3 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 1 value: 3.5 - acceptor_layer: 3 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 2 value: 3.5 - acceptor_layer: 3 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 3 value: 3.5 - acceptor_layer: 3 acceptor_material: 0 donor_layer: 2 donor_material: 0 interaction: 4 value: 3.5 cross_layer_prefactors: [] degradations: [] description: '' dipole_quadrupole_parameters: [] dopants: [] exciplex_rates: [] id: 209 layers: - composition_id: 336 name: HTL thickness: 5 - composition_id: 337 name: Donor thickness: 10 - composition_id: 338 name: Acceptor thickness: 10 - composition_id: 339 name: ETL thickness: 5 name: PEDOT-P3HT-PCBM-BCP optical_layers: - composition_id: 336 name: HTL optical_only: false thickness: 5 - composition_id: 337 name: Donor optical_only: false thickness: 10 - composition_id: 338 name: Acceptor optical_only: false thickness: 10 - composition_id: 339 name: ETL optical_only: false thickness: 5 quadrupole_quadrupole_parameters: []