Role of self-assembled molecules in halide perovskite optoelectronics: an atomic-scale perspective

Despite significant advancements in the study of metal halide perovskites worldwide, the large-scale industrialization of related optoelectronic devices faces ongoing challenges related to efficiency, long-term stability, and environmental and human toxicity. Self-assembled molecules (SAMs) have recently emerged as crucial strategies for enhancing device performance and stability, particularly by mitigating interface-related challenges. This review provides a comprehensive examination of the multifaceted roles of SAMs in enhancing the performance and stability of perovskite optoelectronic devices. We begin by introducing the evolution of SAMs, their unique physicochemical properties and implemented applications in optoelectronic devices. Subsequently, we delve into the diverse beneficial effects of SAMs in perovskite devices and elucidate the underlying atomic-scale mechanisms responsible for these performance enhancements. Finally, we critically analyze the current challenges associated with the rational design and implementation of SAMs in perovskite devices and conclude by outlining promising future research directions.