Back to Publications

Anomalous water penetration in Al3+ dissolution

Minwoo Kim, Seungtae Kim, Changbong Hyeon, Ji Woong Yu*, Siyoung Q. Choi*, Won Bo Lee* (Co-corresponding author)

The Journal of Physical Chemistry LettersVol. 15, No. 43, pp. 10903-10908202410.1021/acs.jpclett.4c02430

[Dissolution]

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.