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Anomalous water penetration in Al3+ dissolution
Minwoo Kim, Seungtae Kim, Changbong Hyeon, Ji Woong Yu*, Siyoung Q. Choi*, Won Bo Lee* (Co-corresponding author)
Abstract
A machine-learning force field trained on quantum calculations follows how water layers form around an aluminum ion (Al³⁺). Coordinated motion across both inner layers opens a site, and water usually arrives from beyond the second layer.