A novel T-C3N and seawater desalination

Jia Qi Zhou; Lei Li; Cong Fu; Jian Wang; Peng Fu; Chui Peng Kong; Fu Quan Bai; Roberts Eglītis; Hong Xing Zhang; Ran Jia

doi:10.1039/C9NR08108A

A novel T-C3N and seawater desalination

Jia Qi Zhou
, Lei Li
, Cong Fu
, Jian Wang
, Peng Fu
, Chui Peng Kong
, Fu Quan Bai
, Roberts Eglītis
, Hong Xing Zhang^*
, Ran Jia

^*Corresponding author for this work

Jilin University
University of Latvia

Research output: Contribution to journal › Article › peer-review

35 Citations (Scopus)

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.

Original language	English
Pages (from-to)	5055-5066
Number of pages	12
Journal	Nanoscale
Volume	12
Issue number	8
DOIs	https://doi.org/10.1039/C9NR08108A
Publication status	Published - 28 Feb 2020

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 6 Clean Water and Sanitation

OECD Field of Science

1.3 Physical Sciences

Access to Document

10.1039/C9NR08108A

Cite this

@article{405e239d27b445a4833e9a520cc9310a,

title = "A novel T-C3N and seawater desalination",

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 {\AA} 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.",

author = "Zhou, \{Jia Qi\} and Lei Li and Cong Fu and Jian Wang and Peng Fu and Kong, \{Chui Peng\} and Bai, \{Fu Quan\} and Roberts Eglītis and Zhang, \{Hong Xing\} and Ran Jia",

note = "Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2020.",

year = "2020",

month = feb,

day = "28",

doi = "10.1039/C9NR08108A",

language = "English",

volume = "12",

pages = "5055--5066",

journal = "Nanoscale",

issn = "2040-3364",

publisher = "Royal Society of Chemistry",

number = "8",

}

TY - JOUR

T1 - A novel T-C3N and seawater desalination

AU - Zhou, Jia Qi

AU - Li, Lei

AU - Fu, Cong

AU - Wang, Jian

AU - Fu, Peng

AU - Kong, Chui Peng

AU - Bai, Fu Quan

AU - Eglītis, Roberts

AU - Zhang, Hong Xing

AU - Jia, Ran

PY - 2020/2/28

Y1 - 2020/2/28

N2 - 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.

AB - 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.

UR - https://pubs.rsc.org/en/content/articlelanding/2020/NR/C9NR08108A#!divAbstract

UR - https://www.scopus.com/pages/publications/85081164632

U2 - 10.1039/C9NR08108A

DO - 10.1039/C9NR08108A

M3 - Article

C2 - 32068219

SN - 2040-3364

VL - 12

SP - 5055

EP - 5066

JO - Nanoscale

JF - Nanoscale

IS - 8

ER -

A novel T-C3N and seawater desalination

Abstract

UN SDGs

OECD Field of Science

Access to Document

Other files and links

Fingerprint

Cite this