Data-driven exploration of layered double hydroxide crystals exhibiting high fluoride ion adsorption properties and chemical stability

• DOI: 10.1039/d5ce00313j
• Publication Date: 2025-04-10T09:00:42Z
• Authors: Fumitaka Hayashi; Ryuki Harada; Hiroaki Sugitani; Hiromasa Kaneko; Tien Quang Nguyen; Mongkol Tipplook; Tetsuya Yamada; Michihisa Koyama; Katsuya Teshima

We constructed machine learning models and found new Ni–Al–Ga, Ni–Fe–Y, and Ni–Cr–Y LDHs with high F− adsorption capacities (15–17 mg g−1 at 1 mM F−, Kd > 4600–8300 mL g−1) and chemical stability.