Characterization of two carbon allotropes, cyclicgraphene and graphenylene, as semi-permeable materials for membranes

• Main Authors: Babicheva, Rita I., Dahanayaka, Madhavi, Liu, Bo, Korznikova, Elena A., Dmitriev, Sergey V., Wu, Mao See, Zhou, Kun
• 其他作者: School of Mechanical and Aerospace Engineering
• 格式: Article
• 語言: English
• 出版: 2022
• 主題: Engineering::Environmental engineering; Carbon Allotrope; Desalination
• 在線閱讀: https://hdl.handle.net/10356/160959

Two-dimensional carbon-based structures have great potential in water purification. Density functional theory calculations and molecular dynamics simulations are performed to characterize two sp2-carbon allotropes, cyclicgraphene (Gr1) and graphenylene (Gr2), as semi-permeable materials for membrane...