Web31 mei 2024 · Tin interstitials and iodide vacancies are likely the prominent defect states formed during air degradation of mixed lead-tin perovskites. In addition, given the shifts in predominantly the valance … Web16 jun. 2024 · Iodide interstitials, iodide- or MA vacancies, all represent classical point defects that can widely determine the electrical transport behavior of halide perovskites. 5 Accordingly, defect chemical modeling combined with appropriate characterization methods, offers a powerful way to gain in-depth understanding of the electrical conductivity in ...
Iodine interstitials as a cause of nonradiative recombination in …
Web10 nov. 2024 · On the basis of state-of-the-art density functional theory modeling, we propose a mechanism whereby oxygen effectively inactivates deep hole traps associated with iodide interstitials by forming moderately stable oxidized products. The small energy gain associated with trap passivation is in agreement with the reversibility of the process. Web15 apr. 2024 · Employing first-principles approaches, we quantitatively show that the iodine interstitial is a dominant nonradiative recombination center in methylammonium … d10 tracon address
Mechanism of Reversible Trap Passivation by Molecular Oxygen in …
WebIonic conductivity results on AgI and AgI containing homovalent and heterovalent dopants such as Br−, Cu+, Pb2+, Cd2+ etc. clearly indicate that the first-order phase transition in fast ion conductors is driven by a critical concentration of the defects (nc) which, for AgI-type materials, is found to be of the order of a few percent. The defects need not necessarily … Web7 aug. 2024 · Fig. 5 Calculated energy profiles of different migrations for (a) halide vacancies, (b) iodide interstitials, (c) and (d) chloride interstitials in mixed-halide RP Cs 2 PbI 2 Cl 2 by using CINEB method. WebAt first, we observe a gradual formation of an I-rich phase, which correlates with an increase in deep defect level concentration. We attribute these deep defects to … d10 toleranz