Constructing the frustrated Lewis pairs within N,S-codoped carbon to reveal the role of adjacent heteroatom sites for highly effective removal of heavy metal ions

doi:10.1016/j.cej.2021.130153

	Constructing the frustrated Lewis pairs within N,S-codoped carbon to reveal the role of adjacent heteroatom sites for highly effective removal of heavy metal ions
	Chen, Junwu 1,2; Yuan, Menglei 2; Cai, Weiquan 1,3; Wei, Jiahao 2; Zhou, Jinpeng 4; Liu, Pei 4; Yang, Zhichao 4; Luo, Jinlu 1; Xia, Qing 4; Cai, Zhijun 5
刊名	CHEMICAL ENGINEERING JOURNAL
	2021-10-15
卷号	422 页码:10
关键词	Ultrafast carbonization N S-codoping Carbon Deep eutectic solvents Cr(VI) adsorption
ISSN号	1385-8947
DOI	10.1016/j.cej.2021.130153
英文摘要	Heteroatom doping is a promising strategy for improving adsorption performance of cost-effective carbon materials for heavy-metal ions from wastewater. However, the lack of theoretical research restricts its development. Herein, theoretical simulations successfully predict that the short distance between the N and S sites is a key factor for the N,S-codoped carbon with a higher adsorption capacity than that of the single doping carbon. Inspired by this interesting finding, a low-energy and ultrafast approach is proposed to prepare N,S-codoped carbon within only 10 s from ternary deep eutectic solvents. Benefiting from the unique dual-doped architecture, the adsorption capacity of the N,S-codoped carbon for Cr(VI) is significantly enhanced to 564.7 mg/g in comparison with single doped carbon (396.2 mg/g) and pristine carbon (186.4 mg/g). The further calculations of energy and electronic structure reveal that adjacent -NH3+ and -SO2- groups can generate frustrated Lewis pairs (FLPs). Such FLP-type sites can promote the adsorption and reduction of Cr(VI) ions due to enhanced electron transfer between functional groups and Cr(VI) ions. This work provides an in-depth comprehension and guidance for synthesis of heteroatom-codoped carbon-based materials with excellent separation performance for heavy metal ions.
资助项目	Natural Science Foundation of Guangdong Province[2021A1515010233] ; Natural Science Foundation of Guangdong Province[2019A1515010921] ; National Natural Science Foundation of China[21975057] ; Project of Reinforcing School with Innovation of the Department of Education of Guangdong Province[2018KZDXM051]
WOS关键词	ENHANCED ADSORPTION PERFORMANCE ; ONE-POT PREPARATION ; POLYACRYLONITRILE FIBER ; MESOPOROUS ALUMINA ; CR(VI) REMOVAL ; POROUS CARBONS ; SOLVENTS ; EFFICIENT ; HYDROGENATION ; MICROSPHERES
WOS研究方向	Engineering
语种	英语
出版者	ELSEVIER SCIENCE SA
WOS记录号	WOS:000671783400004
资助机构	Natural Science Foundation of Guangdong Province ; National Natural Science Foundation of China ; Project of Reinforcing School with Innovation of the Department of Education of Guangdong Province
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/49399]
专题	中国科学院过程工程研究所
通讯作者	Cai, Weiquan
作者单位	1.Guangzhou Univ, Sch Chem & Chem Engn, Guangzhou 510006, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, CAS Key Lab Green Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China 3.Zhengzhou Univ, Sch Mat Sci & Engn, Zhengzhou 450002, Peoples R China 4.Wuhan Univ Technol, Sch Chem Chem Engn & Life Sci, Wuhan 430070, Peoples R China 5.Wuhan Univ Technol, Int Sch Mat Sci & Engn, Wuhan 430070, Peoples R China
推荐引用方式 GB/T 7714	Chen, Junwu,Yuan, Menglei,Cai, Weiquan,et al. Constructing the frustrated Lewis pairs within N,S-codoped carbon to reveal the role of adjacent heteroatom sites for highly effective removal of heavy metal ions[J]. CHEMICAL ENGINEERING JOURNAL,2021,422:10.
APA	Chen, Junwu.,Yuan, Menglei.,Cai, Weiquan.,Wei, Jiahao.,Zhou, Jinpeng.,...&Cai, Zhijun.(2021).Constructing the frustrated Lewis pairs within N,S-codoped carbon to reveal the role of adjacent heteroatom sites for highly effective removal of heavy metal ions.CHEMICAL ENGINEERING JOURNAL,422,10.
MLA	Chen, Junwu,et al."Constructing the frustrated Lewis pairs within N,S-codoped carbon to reveal the role of adjacent heteroatom sites for highly effective removal of heavy metal ions".CHEMICAL ENGINEERING JOURNAL 422(2021):10.