Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide Ca 12 Al 14 O 33 (mayenite) is a mineral with a positively charged framework of cages partially occupied by anions. Oxygen mobility in mayenite has been broadly studied, unlike its isostructural compounds Ca 12 Ga 14 O 33 and Sr 12 Al 14 O 33, which each replace one of the species of framework cations with a larger ion, leading to larger cages and interesting behavior. Ca 12 Al 14 O 33, Ca 12 Ga 14 O 33, and Sr 12 Al 14 O 33 were modeled with classical molecular dynamics to investigate the movement of oxygen through their structures at 77, 300, 700, and 1673 K. Oxygen ions were observed to move through the structure along different pathways, with preferences based on the cations involved─Ca 12 Ga 14 O 33 through exchanges between caged and framework oxygens, and Ca 12 Al 14 O 33 through a combination of the exchanges and passing through windows of the cages. Sr 12 Al 14 O 33 showed some exchange but little overall oxygen mobility at the temperatures studied.
Source: ACS Omega
Institution: University of Tennessee at Knoxville
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,935
OpenAlex ID: W4414244681