Insights into defect kinetics, mass transport, and electronic structure from spectrum effects in ion-irradiated Bi2O3.

Autor: Kennedy, Ellis Rae, Valdez, James A., Wang, Yongqiang, Ribet, Stephanie M., Sickafus, Kurt E., Kreller, Cortney R., Uberuaga, Blas Pedro, Derby, Benjamin K.
Zdroj: Journal of Materials Chemistry A; 12/7/2024, Vol. 12 Issue 45, p31445-31458, 14p
Abstrakt: The next generation of energy conversion and storage materials relies on the development of solid-state ion conductors. The crystal structure and defect concentration are key factors determining the rate of ion mobility through a material. Bi2O3 is polymorphic, with δ-Bi2O3 exhibiting the highest ionic conductivity. However, the monoclinic α-Bi2O3 is more easily synthesized and more stable at room temperature, making it more desirable for applications in diverse and extreme environments. Here, we present the first study on α-Bi2O3 ion irradiation tolerance using three noble gas species (He, Ne, and Ar) to assess the ion irradiation effects on ionic conductivity and mass transport. Ion irradiation of materials has been shown to disorder the materials, induce phase transformations and produce strain in materials, all of which can result in changes in ionic conductivity. An increased propensity for amorphization is observed with both fluence and ion species. He irradiation results in swelling, while Ne and Ar both induce amorphization. As a consequence of irradiation, mixed electronic and nuclear stopping is depth-dependent, with peak electronic stopping dominating near the surface and nuclear stopping becoming most significant at the peak damage level in the bulk. Mass transport is correlated with structural transformations, as indicated by bubble nucleation and coarsening. Changes in the electronic structure and band gap are observed, with the band gap widening from 2.6 eV to 3.5 eV upon full amorphization. Understanding the limitations of α-Bi2O3 in non-equilibrium environments and the impact of amorphization on mass transport enables the development of more robust materials for advanced energy applications. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index