Journal
APPLIED PHYSICS LETTERS
Volume 108, Issue 11, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4944393
Keywords
-
Categories
Ask authors/readers for more resources
Recent experiments revealed a great potential of MXene nanosheets for water desalination applications as ultrathin, high-flux, and size/charge-selective sieving membranes. Here, we conduct first-principles density functional theory calculations to explore possible mechanisms for the charge-selective ionic transport through Ti3C2(OH)(2) MXene. We find that the charge selectivity originates from the charged nature of the MXene layers. For example, due to the electrostatic interactions, ions of different charge states have different energy barriers for the intercalation between the MXene layers. In addition, the system shows dynamic response to the intercalating ions, even in their hydrated states, by changing the interlayer spacing. Our findings highlight the importance of membrane surface charges on the ion sieving performance. (C) 2016 AIP Publishing LLC.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available