Oxide Ion Dynamics and Structure–Property Relationships in A 3 OhTd 2 O 7.5 Ionic Conductors (A = Ba, Sr; Oh = Y; Td = Ga, Zn)
(2025)
Journal Article
Wagstaff, O., Avdeev, M., Clark, S. J., Evans, J. S. O., & Evans, I. R. (2025). Oxide Ion Dynamics and Structure–Property Relationships in A 3 OhTd 2 O 7.5 Ionic Conductors (A = Ba, Sr; Oh = Y; Td = Ga, Zn). Chemistry of Materials, 37(9), 3492-3503. https://doi.org/10.1021/acs.chemmater.5c00426
A3OhTd2O7.5 materials (where Oh/Td = 6/4 coordinate metal ions) are a new class of ionic conductors, with potential applications in important technologies such as fuel cells. We report the first results of ab initio molecular dynamics simulations of... Read More about Oxide Ion Dynamics and Structure–Property Relationships in A 3 OhTd 2 O 7.5 Ionic Conductors (A = Ba, Sr; Oh = Y; Td = Ga, Zn).