Ternary hypervalent silicon hydrides via lithium at high pressure

• Main Authors: Liang, Tianxiao, Zhang, Zihan, Feng, Xiaolei, Jia, Haojun, Pickard, Chris J., Redfern, Simon Anthony Turner, Duan, Defang
• 其他作者: Asian School of the Environment
• 格式: Article
• 語言: English
• 出版: 2021
• 主題: Science::Physics; Charge; Density of States
• 在線閱讀: https://hdl.handle.net/10356/146521

Hydrogen is rarely observed as a ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilize hypervalent hydrogen-rich materials. Focusing on ternary silicon hydrides via lithium doping, we find anions composed of hypervalent silicon with H ligands formed under hig...