Orthorhombic CsPbI3 perovskites: Thickness-dependent structural, optical and vibrational properties

Effects of Bromine Substitution and Vacancy Defects on the Structural and Electronic Properties of Black Orthorhombic CsPbI3 Perovskite

“…These results agree with the experimental results and the previous theoretical value. [ 4,37–40 ] Therefore, our calculation is reliable, and all subsequent calculations are carried out on this basis.…”

“…Lead halide perovskites have been hotspots in the photovoltaic field due to their extraordinary properties, such as tunable wavelength, high optical absorption coefficients, defect tolerance, long carrier lifetime, excellent photoluminescence (PL) efficiency, and tunable bandgaps. [ 1–6 ] Therefore, lead halide perovskites are promising candidate materials for device applications, such as lasers, solar cells, light‐emitting diodes (LEDs), and photodetectors. [ 7–12 ]…”

The making of a reconfigurable semiconductor with a soft ionic lattice

“…A starting point for addressing this conceptual task is to review the difference between halide perovskites and traditional covalent semiconductors (Table 1; Figures 1A and 1B), especially the fact that ionic crystals have lower cohesive energies compared with traditional covalent semiconductors (2-3 eV per atom for typical ionic crystals and halide perovskites, but >4 eV per atom for covalent semiconductors such as Si). 11,12 However, this comparison is only superficially useful if not viewed through an integrated perspective where the ideas and theories of structure, synthesis, and characterization are on equal footing. The uniqueness of halide perovskites has its origin in its chemical bonding and ionic framework, which impart synthetic flexibility but also long-term environmental instabilities.…”