fig2

Figure 2. (A) Atomic orbital energy levels within the bandgap of copper halides and a diagram illustrating the interaction between Cu 4s orbitals and halide s orbitals in the conduction band, as well as Cu 3d orbitals and halide p orbitals^[52]. Copyright 2024 Elsevier B.V.; (B) Formation energy of intrinsic defects in CuI^[54]. Copyright 2024 AIP Publishing LLC; (C) Relationship between mobility and carrier concentration of CuI, based on experimental and computational data^[14]. Copyright 2023 The Authors. Published by American Chemical Society.