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(a–e) Equilibrium structures of the most stable point defects in PEA2PbI4 and PEA2SnI4. KS plots of the trapped electron on the (f) apical and (g) equatorial iodine vacancy defects. KS plots of the trapped hole on (h) iodine interstitials. Delocalized hole for (i) tin vacancy and (j) PEA vacancy (orbital plot isovalue 0.03 au–3/2).
