Identification of a practical electron donor

Determine which chemical donor can produce the electron concentrations required for favorable n-type thermoelectric performance in Cs₂AgIrCl₆ and Rb₂AgIrCl₆ while remaining sufficiently soluble and avoiding charge compensation.

Background

The predicted optimum n-type performance requires electron concentrations near 6×10¹⁹ cm⁻³. The AMSET ionized-impurity treatment assumes an impurity concentration and charge but does not establish which donor chemistry can realize those values in the Ir chlorides. Donor solubility and compensating defects may prevent the nominal dopant concentration from becoming a comparable mobile-electron density, leaving the identity and viability of a practical donor unresolved.

References

The IMP model uses the concentration and charge of ionized impurities as inputs; it does not identify which chemical donor could produce the required electrons or whether that donor would be sufficiently soluble and free from compensation.

— Predicted High $n$-Type $zT$ and Ultralow Lattice Thermal Conductivity in A$_2$AgIrCl$_6$ (A = Cs, Rb)  (2608.23212 - Kulhari et al., 24 Aug 2026) in Section 3.4, Carrier transport and thermoelectric performance