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Molecular dynamics simulation of ion transportation through graphene nanochannels

Journal of Southeast University(English Edition) 2017年第2期33卷 171-176页

作者：陈辰陈云飞沙菁■ 伍根生马建李堃纪安平东南大学机械工程学院南京211189 东南大学江苏省微纳生物医疗器械设计与制造重点实验室南京211189 南京林业大学机械电子工程学院南京210037

The model of ion transportation through graphene nanochannels is established by the molecular dynamics simulation method. Statistics of the electric potential and charge distribution are made, respectively, on both sides of graphene nanopore with various diameters. Then, their changing relationship with respect to the nanopore diameter is determined. When applying a uniform electric field, polar water molecules are rearranged so that the corresponding relationship between the polarized degree of these molecules and the nanopore diameter can be created. Based on the theoretical model of ion transportation through nanochannels,the changing relationship between the concentration of anions/cations in nanochannels and bulk solution concentration is quantitatively analyzed. The results show that the increase of potential drop and charge accumulation, as well as a more obvious water polarization, will occur with the decrease of nanopore diameter. In addition, hydrogen ion concentration has a large proportion in nanochannels with a sodium chloride（NaCl） solution at a relative low concentration. As the NaCl concentration increases, the concentration appreciation of sodium ions tends to be far greater than the concentration drop of chloride ions. Therefore, sodium ion concentration makes more contribution to ionic conductance.

关键词： molecular dynamics simulation ion transportation graphene nanochannels ionic conductance

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Optimization of parameters of a surface-electrode ion trap and experimental study of influences of surface on ion lifetime

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Science China(Physics,Mechanics & Astronomy) 2016年第12期59卷 33-39页

作者： BaoQuan Ou Jie Zhang XinFang Zhang Yi Xie Ting Chen ChunWang Wu Wei Wu PingXing Chen Department of Physics Science College National University of Defense Technology Interdisciplinary Center for Quantum Information National University of Defense Technology

In this paper we report the optimal design and fabrication of a gold-on-silica linear segmented surface-electrode ion trap. By optimizing the thickness and width of the electrodes, we improved the trapping ability and trap scalability. By using some practical experimental operation methods, we successfully minimized the trap heating rate. Consequently, we could trap a string of up to 38 ions, and a zigzag structure with 24 ions, and transport two trapped ions to different zones. We also studied the influences of the ion chip surface on the ion lifetime. The excellent trapping ability and flexibility of operation of the planar ion trap shows that it has high feasibility for application in the development a practical quantum information processor or quantum simulator.

关键词： quantum information processor quantum simulator ion trap surface-electrode trap ion string ion transportation

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Pore Engineering for Covalent Organic Framework Membranes

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Chemical Research in Chinese Universities 2022年第2期38卷 364-372页

作者： YAO Jin LU Ya SUN Huihui ZHAO Xin Key Laboratory of Synthetic and Self-assembly Chemistry for Organic Functional Molecules Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032P.R.China School of Chemistry and Materials Science Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou 310024P.R.China College of Chemistry and Materials Science Shanghai Normal UniversityShanghai 200234P.R.China

Membrane technology is of particular significance for the sustainable development of society owing to its potential capacity to tackle the energy shortage and environmental *** materials are the core part of membrane *** have always been pursuing predictable structures of advanced membrane materials,which provides a possibility to fully unlock the potential of *** organic frameworks(COFs),with the advantage of controllable pore microenvironment,are considered to be promising candidates to achieve this design *** customizable function of COF membranes through pore engineering does well in the enhancement of selective permeability performance,which offers COF membranes with great application potentials in separation and transportation *** this context,COF-based membranes have been developed rapidly in recent ***,we present a brief overview on the strategies developed for pore engineering of COF membranes in recent years,including skeleton engineering,pore surface engineering,host-guest chemistry and membrane ***,the features of transmission or separation of molecules/ions based on COF membranes and corresponding applications are also *** the last part,the challenges and prospects of the development of COF membranes are discussed.

关键词： Membrane technology Covalent organic framework(COF) Pore engineering Separation ion transportation

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Enhancing self-assembly efficiency of macrocyclic compound into nanotubes by introducing double peptide linkages

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Chinese Chemical Letters 2024年第11期35卷 299-303页

作者： Cheng-Yan Wu Yi-Nan Gao Zi-Han Zhang Rui Liu Quan Tang Zhong-Lin Lu College of Chemistry Beijing Normal UniversityBeijing 100875China College of Chemistry and Materials Engineering Bohai UniversityJinzhou 121013China

Constructing more stable self-assembled organic nanotubes has been one of the focuses of scientists in recent ***(m-phenylene ethynylene)(m-PE)benzene macrocycles can form stable tubular self-assemblies in nonpolar or weakly polar solvents through theπ-πinteraction of the main skeleton and the hydrogen bonding of the side chain *** covalently linked two macrocyclic units at the para position of the macrocycles using two oligo(β-alanine)linkers through an efficient synthetic ***-visible spectroscopy,fluorescence spectroscopy,and circular dichroism spectroscopy were employed to demonstrate that the incorporation of two peptide chains significantly enhances the stability of the ***,the average open time of the ion channel formed by the macrocyclic dimer in the lipid bilayer was significantly better than that of the ion channel formed by a single *** study shows that this strategy effectively improves the efficiency of self-assembly and the stability of its formed self-assemblies,providing a feasible strategy for constructing organic self-assembled nanotubes in highly polar solvents.

关键词： Macrocyclic compounds Supramolecular assembly ion transportation Synthetic ion channels Molecular nanotubes

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Progress and prospects of two-dimensional materials for membrane-based osmotic power generation

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Nano Research Energy 2022年第1期1卷 110-124页

作者： Javad Safaei Guoxiu Wang Centre for Clean Energy Technology School of Mathematical and Physical SciencesFaculty of ScienceUniversity of Technology SydneySydneyNew South Wales 2007Australia

The electrical energy that can be harnessed from the salinity difference across the sea water and river water interface can be one of the sustainable and clean energy resources of the *** energy can be harnessed via the nanofluidic channels that selectively permeate *** selective diffusion of cations and anions can produce electricity through reverse ***-dimensional(2D)materials are a class of nanomaterials that hold great promise in this *** breakthrough works have been previously published which demonstrate the high electrical power densities of 2D *** ion transportation can be either through the nano-sized in-plane pores or interlayer spacings of 2D *** review article highlights the progress in 2D materials for salinity gradient power *** types of 2D membranes with various nano-architectures are discussed in this review *** include atom-thick 2D membranes with nanopores,2D lamellar membranes,2D lamellar membranes with nanopores,2D/one-dimensional(1D),and 2D/2D hybrid *** fabrication techniques,physical characteristics,ion transportation properties,and the osmotic power generation of these 2D membranes are elaborated in this review ***,we overview the future research direction in this *** is envisioned that the research on 2D materials can make practical salinity gradient power generation one step closer to reality.

关键词： 2D materials osmotic power generation reverse electrodialysis nanofluidics ion transportation

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