The sensitive effect of O₂ adsorption on the electronic properties of organic semiconductors is investigated by band structure calculation. O₂ can actually p-dope the host materials even without illumination, i.e., a ground state property, in the circumstance of saturated coverage. Due to hybridization between O₂ and polymer, Fermi level of the oxygenated system is pinned at the nearly half-filled oxygen band and overlap with host valence band. The doping depends critically on the ionization potential. Each O₂ can dope more than 0.1 hole in dark and a full charge-transfer excitation around 2.30.3em0exeV photon energy is predicted.
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Lu et al. (2007) studied this question.
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