Structural and electronic properties of 2D inorganic perovskites

Over the past decade, halide perovskites have gained significant attention due to their remarkable potential in high-performance solar cells, resulting in notable advancements in three-dimensional (3D) perovskite materials. More recently, research efforts have begun to shift towards the next generation of these materials, particularly two-dimensional (2D) perovskites. These 2D structures, characterized by their layered nature, offer the ability to fine-tune their composition, providing greater flexibility in designing materials with targeted properties. In addition to their tunability, 2D perovskites have demonstrated enhanced stability compared to their 3D counterparts, making them particularly promising for use in various device applications. Despite their considerable potential, many aspects of these materials remain underexplored. This study focuses on investigating the structural and electronic properties of 2D perovskites using ab initio calculations, offering insights to guide future experimental research and material development [1][2][3].

References:

[1] J. Phys. Chem. Lett. 10, 5881−5885 (2019)

[2] Nanoscale. 12, 21094 (2020)

[3] Emergent mater. 4, 865–880 (2021)