Spatial Atomic Arrangement of Cyclohexyl‐Based Ligands for Enhanced Interface Passivation in 2D/3D Perovskite Solar Cells
Year: 2025
Type: article
Abstract: Metal halide perovskite solar cells (PSC) have emerged as a promising candidate for next‐generation photovoltaic technologies, achieving remarkable power conversion efficiencies (PCE) in polycrystalline thin‐films. Nonetheless, their PCE and long‐term stability are often limited by a high density of defects at interfaces and grain boundaries. One effective strategy to mitigate these issues is forming 2D/3D heterojunction structure by introducing a surface‐passivating interfacial layer of quasi‐2D Ruddlesden–Popper perovskite (RPP) with various functional ligand molecules. In this study, hydroxyl‐functionalized cyclohexyl ammonium hydrochloride (ACHACl) is employed as the ligand molecule, which features dual functional groups. A comparative analysis reveals that cis‐configurations of the ligands exhibit enhanced adsorption on the [PbI6]4− octahedra in lead halide perovskites, enabling more effective passivation of defects including metallic Pb0 on 3D perovskite thin‐films. Moreover, the 2D/3D structure incorporating the RPP improves hole extraction to the hole transport layer (HTL) by inducing an upward shift in the valence band edge. Consequently, the 2D/3D heterojunction PSCs achieve a PCE of 23% under 1‐Sun illumination, along with significantly improved long‐term stability, presenting the critical role of tailoring the atomic structure of the RPP ligand molecules to boost both the efficiency and long‐term stability of PSCs.
Source: Small
Institution: Seoul National University
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $5,790
Awards: G1511539249, G36754063, G5937940615
OpenAlex ID: W4409693933