Computational Studies on Holey TMC<sub>6</sub> (TM = Mo and W) Membranes for H<sub>2</sub> Purification

Computational Studies on Holey TMC<sub>6</sub> (TM = Mo and W) Membranes for H<sub>2</sub> Purification

The purification of hydrogen (H<sub>2</sub>) has been a vital step in H<sub>2</sub> production processes such as steam–methane reforming. By first-principle calculations, we revealed the potential applications of holey TMC<sub>6</sub> (TM = Mo and W) membranes in...

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Bibliographic Details
Main Authors: Juan Xie, Cai Ning, Qinqin Liu, Zhongti Sun, Juan Yang, Huilong Dong
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Membranes
Subjects:
carbon-based membrane
hydrogen purification
first-principle calculations
selectivity
Online Access:https://www.mdpi.com/2077-0375/12/7/709

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https://www.mdpi.com/2077-0375/12/7/709

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