Observational Constraints on the Formation of Cl 2 From the Reactive Uptake of ClNO 2 on Aerosols in the Polluted Marine Boundary Layer

Haskins, Jessica D.; Lee, Ben H.; Lopez‐Hilifiker, Felipe D.; Peng, Qiaoyun; Jaeglé, Lyatt; Reeves, J. Michael; Schroder, Jason C.; Campuzano‐Jost, Pedro; Fibiger, Dorothy; McDuffie, Erin E.; Jiménez, José L.; Brown, Steven S.; Thornton, Joel A.

doi:10.1029/2019JD030627

Abstract AMXcompounds with the ZrBeSi structure tolerate a vacancy concentration of up to 50 % on theM‐site in the planarMX‐layers. Here, we investigate the impact of vacancies on the thermal and electronic properties across the full EuCu_1−xZn_0.5xSb solid solution. The transition from a fully‐occupied honeycomb layer (EuCuSb) to one with a quarter of the atoms missing (EuZn_0.5Sb) leads to non‐linear bond expansion in the honeycomb layer, increasing atomic displacement parameters on theMand Sb‐sites, and significant lattice softening. This, combined with a rapid increase in point defect scattering, causes the lattice thermal conductivity to decrease from 3 to 0.5 W mK⁻¹at 300 K. The effect of vacancies on the electronic properties is more nuanced; we see a small increase in effective mass, large increase in band gap, and decrease in carrier concentration. Ultimately, the maximumzTincreases from 0.09 to 0.7 as we go from EuCuSb to EuZn_0.5Sb.

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