摘要： In order to reach the theoretical e?ciency limits of lead-based metal halide perovskite solar cells, the voltage should be enhanced because it su?ers from non-radiative recombination. Perovskite materials contain intrinsic defects that can act as Shockley–Read–Hall recombination centers. Several experimental and computational studies have characterized such defect states within the band gap. We give a systematic overview of compositional engineering by distinguishing the di?erent defect-reducing mechanisms. Doping e?ects are divided into in?uences on: (1) crystallization; (2) lattice properties. Incorporation of dopant in?uences the lattice properties by: (a) lattice strain relaxation; (b) chemical bonding enhancement; (c) band gap tuning. The intrinsic lattice strain in undoped perovskite was shown to induce vacancy formation. The incorporation of smaller ions, such as Cl, F and Cd, increases the energy for vacancy formation. Zn doping is reported to induce strain relaxation but also to enhance the chemical bonding. The combination of computational studies using (DFT) calculations quantifying and qualifying the defect-reducing propensities of di?erent dopants with experimental studies is essential for a deeper understanding and unraveling insights, such as the dynamics of iodine vacancies and the photochemistry of the iodine interstitials, and can eventually lead to a more rational approach in the search for optimal photovoltaic materials.