Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites

group of the NEA chiral cation. The chirality transfer is also evident in the Rashba-Dresselhaus effects on the electronic band structure, in which we found magnitudes directly correlated to the trends of octahedra tilting. The band offsets of substitutions B and X are predominantly influenced by their natural atomic energy levels, while organic molecules play a pivotal role in modulating the ionic potential and electron affinity in systems containing light atoms. The band gap values range from 1.91 up to 3.77 eV, with chirality and anion electronegativity providing significant tuning effects on whether the band gaps are direct or indirect.