Electronic states and molecular orientation of ITIC film

Abstract

ITIC is the milestone of non-fullerene small molecule acceptors used in organic solar cells. We have studied the electronic states and molecular orientation of ITIC film using photoelectron spectroscopy and X-ray absorption spectroscopy. The negative integer charge transfer energy level is determined to be 4.00 plus or minus 0.05 eV below the vacuum level, and the ionization potential is 5.75 plus or minus 0.10 eV. The molecules predominantly adopt the face-on orientation on inert substrates as long as the surfaces of the substrates are not too rough. These results provide physical understanding of the high performance of ITIC-based solar cells, also afford implications to design more advanced photovoltaic small molecules.