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A novel T-C3N and seawater desalination

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Abstract

A structurally stable stacked multilayer carbonitride is predicted with the aid of ab initio calculations. This carbonitride consists of C3N tetrahedra, and is similar to T-carbon and thus named T-C3N. Its 2-dimensional (2D) monolayer is also carefully investigated in this work. The studies on electronic properties reveal that bulk and 2D T-C3N are insulators with a 5.542 eV indirect band gap and a 5.741 eV direct band gap, respectively. However, the monolayer T-C3N exhibits an excellent uniform porosity. Its 5.50 Å pore size is perfect for water nanofiltration. The adsorption and permeation of water molecules on the monolayer T-C3N are investigated. Its promising potential application in highly efficient nanofiltration membranes for seawater desalination is discussed.

Graphical abstract: A novel T-C3N and seawater desalination

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Article information


Submitted
20 Sep 2019
Accepted
29 Jan 2020
First published
30 Jan 2020

Nanoscale, 2020, Advance Article
Article type
Paper

A novel T-C3N and seawater desalination

J. Zhou, L. Li, C. Fu, J. Wang, P. Fu, C. Kong, F. Bai, R. I. Eglitis, H. Zhang and R. Jia, Nanoscale, 2020, Advance Article , DOI: 10.1039/C9NR08108A

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