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

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...

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Bibliographic Details
Main Authors: Babicheva, Rita I., Dahanayaka, Madhavi, Liu, Bo, Korznikova, Elena A., Dmitriev, Sergey V., Wu, Mao See, Zhou, Kun
Other Authors: School of Mechanical and Aerospace Engineering
Format: Article
Language:English
Published: 2022
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Online Access:https://hdl.handle.net/10356/160959
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Institution: Nanyang Technological University
Language: English

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