Lithium Doping of ZnO for High Efficiency and Stability Fullerene and Non-fullerene Organic Solar Cells

Abstract

We report on the effect of lithium doping of zinc oxide used as electron-transport layer in organic solar cells based on both fullerene and non-fullerene acceptors. The experimental and theoretical results indicate that lithium ions intercalated within the ZnO lattice as dopants replace interstitial zinc defects that act as trap states and give rise to a higher electron conductivity without significantly altering work function and valence band edge. The enhanced electron carrier extraction/collection efficiency, the suppressed bimolecular and interface trap-assisted recombination losses and the higher electron mobility of the photoactive blend synergistically contribute to the superior performance of PTB7-Th:PC₇₁BM-based fullerene devices utilizing doped ZnO layers with an optimized lithium concentration of 5 wt %. Such devices increased their maximum PCE from 8.59% (average 8.05%) to 10.05% (average 9.53%) while, simultaneously, boosting their long-term stability. Moreover, non-fullerene solar cells based on the PTB7-Th:IT-4F blend exhibited PCEs up to 8.96% and maintained more than 80% of their initial efficiency after 1000 h storage in the dark upon using the lithium modified ZnO electron transport layer.