Physical Sciences and Mathematics Commons^™

Guest-Free Monolayer Clathrate And Its Coexistence With Two-Dimensional High-Density Ice, Jaeil Bai, C. Austen Angell, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

Three-dimensional (3D) gas clathrates are ice-like but distinguished from bulk ices by containing polyhedral nano-cages to accommodate small gas molecules. Without space filling by gas molecules, standalone 3D clathrates have not been observed to form in the laboratory, and they appear to be unstable except at negative pressure. Thus far, experimental evidence for guest‐free clathrates has only been found in germanium and silicon, although guest‐free hydrate clathrates have been found, in recent simulations, able to grow from cold stretched water, if first nucleated. Herein, we report simulation evidence of spontaneous formation of monolayer clathrate ice, with or without gas molecules, …