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Silver-bismuth iodide (ABI) ternary semiconductors, such as AgBi2I7, AgBiI4, Ag2BiI5, and Ag3BiI6, have emerged as promising lead-free light absorbers for photovoltaic applications due to their favorable optoelectronic properties. Despite recent advances that have improved power conversion efficiencies from ∼1% to over 5%, ABI-based solar cells still show substantial open-circuit voltage (VOC) losses of up to ∼1 V, which significantly hinder the device performance. These losses have been experimentally attributed to the non-radiative recombination originating from intrinsic defects, however, theoretical understanding of these defect mechanisms remains limited. Here, using density functional theory calculations, we systematical
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