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Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field
Zhou, Min1; Hu, Ying1; Liu, Jian-chuan2,3,4; Cheng, Ke5; Jia, Guo-zhu1
2017-10-16
Source PublicationCHEMICAL PHYSICS LETTERS
Volume686Pages:173-177
AbstractIn this paper, molecular dynamics simulations were performed to investigate the transportation and hydrogen bonding dynamics of water confined in (6, 6) single-walled carbon nanotube (SWCNT) in the absence and presence of time-dependent pulse-field. The effects of pulse-field range from microwave to ultraviolet frequency on the diffusivity and hydrogen bonding of confined water were analyzed. The significant confinement effect due to the narrow space inside SWCNT was observed. (C) 2017 Published by Elsevier B.V.
KeywordMolecular Dynamics Carbon Nanotubes Diffusivity Hydrogen Bonding
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/41056
Collection分子反应动力学实验室
Affiliation1.Sichuan Normal Univ, Coll Phys & Elect Engn, Chengdu 610101, Sichuan, Peoples R China
2.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100190, Peoples R China
3.Chinese Acad Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
5.Chengdu Univ Informat Technol, Coll Optoelect Technol, Chengdu 610225, Sichuan, Peoples R China
Recommended Citation
GB/T 7714
Zhou, Min,Hu, Ying,Liu, Jian-chuan,et al. Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field[J]. CHEMICAL PHYSICS LETTERS,2017,686:173-177.
APA Zhou, Min,Hu, Ying,Liu, Jian-chuan,Cheng, Ke,&Jia, Guo-zhu.(2017).Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field.CHEMICAL PHYSICS LETTERS,686,173-177.
MLA Zhou, Min,et al."Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field".CHEMICAL PHYSICS LETTERS 686(2017):173-177.
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