Figure 4

Electron and hole density of states. The dashed line is the overall DOS approximated by the sum of two Gaussian functions. The tail (red line) and deep (green line) states are also shown. The electron DOS parameters are the following. Total density of LUMO tail and deep states are N_te = 2 × 10²¹ cm⁻³ and N_de = 1 × 10²⁰ cm⁻³, respectively. The energy width of the LUMO tail and deep states are σ_te = 80 meV and σ_de = 120 meV, respectively. The hole DOS parameters are the following. Total density of HOMO tail and deep states are N_th = 2 × 10²¹ cm⁻³ and N_dh = 1 × 10²⁰ cm⁻³, respectively. The energy width of the HOMO tail and deep states are σ_th = 60 meV and σ_dh = 120 meV, respectively. An additional Gaussian distribution of trap states (full blue line) describes the oxygen-induced. The Gaussian distribution is located at 0.35 eV below the LUMO level, with a total density of states N_tO2 = 2 × 10²⁰ cm⁻³ and a disorder energy width σ_tO2 = 50 meV. The other simulation parameters are provided in the Methods section.