Confining CO2 inside the nanocavities of the sI clathrate: a quantum dynamics study

Abstract

Clathrate hydrates have been found to occur naturally, and have been extensively studied due to their important industrial applications, such as the storage of the CO2 from the atmosphere and control climate change. Thus, quantitative understanding of physical and chemical properties, as well as the factors that control the formation of CO2 hydrates, on both macroscopic and microscopic levels is essential in several areas of physical science.