Tuning Halide Perovskite Energy Levels

The ability to control the energy levels in semiconductors is compelling for optoelectronic applications. In this study, we managed to tune the work function (WF) of halide perovskite semiconductors using self-assembling monolayers of small molecules to induce stable dipoles at the surface. The direction and intensity of the surface dipoles rely on specific molecule-to-surface interaction. Electron acceptor or donor molecules result in the positive or negative WF shifts up to several hundreds of meV. Our approach provides a versatile tool to control the WF of halide perovskite and adjust the energy level alignment at the interface with charge transport materials in perovskite-based optoelectronics. The impact on perovskite solar cells is reported and discussed in detail with the support of modelling.