Absorption of lithium in montmorillonite: A density functional theory (DFT) study

• Main Authors: Wungu, Triati Dewi Kencana, Aspera, Susan Menez, David, Melanie Yadao, Dipojono, Hermawan Kresno, Nakanishi, Hiroshi, Kasai, Hideaki
• 格式: text
• 出版: Animo Repository 2011
• 主題: Lithium—Absorption and adsorption; Density functionals; Charge transfer; Physics
• 在線閱讀: https://animorepository.dlsu.edu.ph/faculty_research/1260; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2259/type/native/viewcontent

The absorption of lithium in montmorillonite [LiSi8(Al 3Mg)O20(OH)4] was investigated using Density Functional Theory (DFT). The final position of lithium after absorption was found to be in good agreement with an experimental observation where lithium atom migrated from the interlayer into the vaca...