Atomistic level aqueous dissolution dynamics of NASICON-Type Li 1+ x Al x Ti 2- x (PO 4 ) 3 (LATP).
Mert Y SengulArnaud NdayishimiyeWonho LeeJoo-Hwan SeoZhongming FanYun Kyung ShinEnrique D GomezClive A RandallAdri C T van DuinPublished in: Physical chemistry chemical physics : PCCP (2022)
Advancing the atomistic level understanding of aqueous dissolution of multicomponent materials is essential. We combined ReaxFF and experiments to investigate the dissolution at the Li 1+ x Al x Ti 2- x (PO 4 ) 3 -water interface. We demonstrate that surface dissolution is a sequentially dynamic process. The phosphate dissolution destabilizes the NASICON structure, which triggers a titanium-rich secondary phase formation.