Model OLED Materials and Devices
- Simulate physical vapor deposition of emissive, hole-transport, and electron-transport layers
- Calculate ionization potentials, electron affinities, dipoles, exciton energies, and transfer integrals
- Model host-guest materials and mixed OLED layers
- Import OLED workflow results into Bumblebee
- Set up OLED stack simulations with BBinput
- Run voltage sweeps for JV curves, efficiency roll-off, and device screening
- Calculate bulk mobility in organic semiconductors
- Simulate photoluminescence and exciton dynamics
- Study transient response and pulsed experiments
How the OLED workflow works
1. Deposit the film: simulate physical vapor deposition with molecular dynamics and force-bias Monte Carlo.
2. Calculate film properties: use the deposited morphology to calculate molecular property distributions, including ionization potential, electron affinity, dipole moments, and exciton energies.
3. Simulate the device: export the material data to Bumblebee and run 3D kinetic Monte Carlo simulations of the OLED stack.
Poster Case Study on Multiscale Modeling:
Our step-by-step GUI tutorial teaches you to:
- Deposit a multi-layer OLED stack in a simulated physical vapor deposition.
- Calculate the distribution of properties such as ionization potential, electron affinity and dipole moments for all molecules in the stack.
- Transfer the data to Bumblebee for OLED device simulations to analyze JV curves, roll-off and loss mechanisms.
