Citation: GE Zhen-Peng, SHI Yan-Chao, LI Xiao-Yi. Effects of Ortho nal Electric Field on Water Flux through a Carbon Nanotube[J]. Acta Physico-Chimica Sinica, ;2013, 29(08): 1655-1660. doi: 10.3866/PKU.WHXB201305222 shu

Effects of Ortho nal Electric Field on Water Flux through a Carbon Nanotube

1.
College of Materials Science and Opto-electronics Technology, University of Chinese Academy of Sciences, Beijing 100049, P. R. China

Received Date: 26 February 2013
Available Online: 22 May 2013
Fund Project: 国家自然科学基金(21274164, 21144001) (21274164, 21144001)国家重点基础研究发展规划项目(973) (2012CB934001)资助 (973) (2012CB934001)

Water transport in nanopores is important for many biological processes and the design of nanodevices. It has been demonstrated that water molecules are transported through a (6,6)-type carbon nanotube (CNT) by forming single-file chains. However, a controllable water flow through a CNT remains difficult to achieve. In this paper, we investigated how to control the net flux of water molecules transported through a CNT and the on-off gating behavior of the CNT using an ortho nal electric field. With a 200 MPa pressure difference acting on the top of the first layer of water molecules as the driving force, the net flux of water molecules decreased linearly as the ortho nal electric field strength (E) increased from 1 to 3 V· nm^-1. When E increased over 3 V·nm^-1, the flow of water molecules through the CNT was turned off and the net flux was almost zero. Both the orientation of water dipoles and flipping frequency were strongly correlated with the water occupancy in this case.
- Carbon nanotube,
- Ortho nal electric field,
- Molecular dynamics simulation,
- Flux of water molecules,
- Gating
1. [1]
  
  (1) Zhu, F. Q.; Tajkhorshid, E.; Schulten, K. Biophys. J. 2004, 86,50. doi: 10.1016/S0006-3495(04)74082-5
2. [2]
  (2) Zhu, F. Q.; Tajkhorshid, E.; Schulten, K. Biophys. J. 2002, 83,154. doi: 10.1016/S0006-3495(02)75157-6
3. [3]
  (3) Ma, M. D.; Shen, L.; Sheridan, J.; Liu, J. Z.; Chen, C.; Zheng,Q. Phys. Rev. E 2011, 83, 036316. doi: 10.1103/PhysRevE.83.036316
4. [4]
  (4) Hummer, G.; Rasaiah, J. C.; Noworyta, J. P. Nature 2001, 414,188. doi: 10.1038/35102535
5. [5]
  (5) Waghe, A.; Rasaiah, J. C.; Hummer, G. J. Chem. Phys. 2002,117, 10789. doi: 10.1063/1.1519861
6. [6]
  (6) Holt, J. K.; Park, H. G.;Wang,Y. M.; Stadermann, M.; Artyukhin,A. B.; Gri ropoulos, C. P.; Noy, A.; Bakajin, O. Science 2006,312, 1034. doi: 10.1126/science.1126298
7. [7]
  (7) Falk, K.; Sedlmeier, F.; Joly, L.; Netz, R. R.; Bocquet, L. R.Nano Lett. 2010, 10, 4067. doi: 10.1021/nl1021046
8. [8]
  (8) Zhang, Z. Q.; Ye, H. F.; Liu, Z.; Ding, J. N.; Cheng, G. G.; Ling,Z. Y.; Zheng, Y. G.;Wang, L.;Wang, J. B. J. Appl. Phys. 2012,111, 114304. doi: 10.1063/1.4724344
9. [9]
  (9) Zuo, G. C.; Shen, R.; Ma, S. J.; Guo,W. L. ACS Nano 2010, 4,205. doi: 10.1021/nn901334w
10. [10]
  (10) Chaudhury, M. K.; Whitesides, G. M. Science 1992, 256, 1539.doi: 10.1126/science.256.5063.1539
11. [11]
  (11) Linke, H.; Aleman, B. J.; Melling, L. D.; Taormina, M. J.;Francis, M. J.; Dow-Hygelund, C. C.; Narayanan, V.; Taylor,R. P.; Stout, A. Phys. Rev. Lett. 2006, 96, 154502. doi: 10.1103/PhysRevLett.96.154502
12. [12]
  (12) Joseph, S.; Aluru, N. R. Phys. Rev. Lett. 2008, 101, 064502.doi: 10.1103/PhysRevLett.101.064502
13. [13]
  (13) Joseph, S.; Aluru, N. R. Nano Lett. 2008, 8, 452. doi: 10.1021/nl072385q
14. [14]
  (14) Vaitheeswaran, S.; Yin, H.; Rasaiah, J. C. J. Phys. Chem. B2005, 109, 6629. doi: 10.1021/jp045591k
15. [15]
  (15) Bratko, D.; Daub, C. D.; Leung, K.; Luzar, A. J. Am. Chem. Soc.2007, 129, 2504. doi: 10.1021/ja0659370
16. [16]
  (16) Li, J. Y.; ng, X. J.; Lu, H. J.; Li, D.; Fang, H. P.; Zhou, R. H.Proc. Natl. Acad. Sci. U. S. A. 2007, 104, 3687. doi: 10.1073/pnas.0604541104
17. [17]
  (17) Raghunathan, A. V.; Aluru, N. R. Phys. Rev. Lett. 2006, 97.
18. [18]
  (18) Suk, M. E.; Aluru, N. R. Phys. Chem. Chem. Phys. 2009, 11,8614. doi: 10.1039/b903541a
19. [19]
  (19) ng, X. J.; Li, J. Y.; Lu, H. J.;Wan, R. Z.; Li, J. C.; Hu, J.;Fang, H. P. Nat. Nanotechnol. 2007, 2, 709. doi: 10.1038/nnano.2007.320
20. [20]
  (20) Won, C. Y.; Joseph, S.; Aluru, N. R. J. Chem. Phys. 2006, 125,117701. doi: 10.1063/1.2338305
21. [21]
  (21) Garate, J. A.; English, N. J.; MacElroy, J. M. D. J. Chem. Phys.2009, 131, 8.
22. [22]
  (22) Dzubiella, J.; Allen, R. J.; Hansen, J. P. J. Chem. Phys. 2004,120, 5001. doi: 10.1063/1.1665656
23. [23]
  (23) Figueras, L.; Faraudo, J. Mol. Simulat. 2012, 38, 23.doi: 10.1080/08927022.2011.599032
24. [24]
  (24) Su, J. Y.; Guo, H. X. ACS Nano 2011, 5, 351. doi: 10.1021/nn1014616
25. [25]
  (25) Lü, Y. J.; Chen, M. Acta Phys. -Chim. Sin. 2012, 28, 1070.[吕勇军, 陈民. 物理化学学报, 2012, 28, 1070.] doi: 10.3866/PKU.WHXB201202213
26. [26]
  (26) LI, H. L.; Jia, Y. X.; Hu, Y. D. Acta Phys. -Chim. Sin. 2012, 28,573. [李海兰, 贾玉香, 胡仰栋. 物理化学学报, 2012, 28,573.] doi: 10.3866/PKU.WHXB201112191
27. [27]
  (27) Zhang, X.; Zhang, Q.; Zhao, D. X. Acta Phys. -Chim. Sin. 2012,28, 1037. [张霞, 张强, 赵东霞. 物理化学学报, 2012,28, 1037.] doi: 10.3866/PKU.WHXB201203072
28. [28]
  (28) Phillips, J. C.; Braun, R.;Wang,W.; Gumbart, J.; Tajkhorshid,E.; Villa, E.; Chipot, C.; Skeel, R. D.; Kale, L.; Schulten, K.J. Comput. Chem. 2005, 26, 1781.
29. [29]
  (29) Vanommeslaeghe, K.; Hatcher, E.; Acharya, C.; Kundu, S.;Zhong, S.; Shim, J.; Darian, E.; Guvench, O.; Lopes, P.;Vorobyov, I.; MacKerell, A. D. J. Comput. Chem. 2010, 31, 671.
30. [30]
  (30) Jorgensen,W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R.W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926. doi: 10.1063/1.445869
31. [31]
  (31) Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.;Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577. doi: 10.1063/1.470117
32. [32]
  (32) Wan, R.; Lu, H.; Li, J.; Bao, J.; Hu, J.; Fang, H. Phys. Chem. Chem. Phys. 2009, 11, 9898. doi: 10.1039/b907926m
33. [33]
  (33) Wan, R. Z.; Li, J. Y.; Lu, H. J.; Fang, H. P. J. Am. Chem. Soc.2005, 127, 7166. doi: 10.1021/ja050044d
34. [34]
  (34) Yang, Y. L.; Li, X. Y.; Jiang, J. L.; Du, H. L.; Zhao, L. N.; Zhao,Y. L. ACS Nano 2010, 4, 5755. doi: 10.1021/nn1014825
35. [35]
  (35) Liu, B.; Li, X. Y.; Li, B. L.; Xu, B. Q.; Zhao, Y. L. Nano Lett.2009, 9, 1386. doi: 10.1021/nl8030339
36. [36]
  (36) Wu, K. F.; Zhou, B.; Xiu, P.; Qi,W. P.;Wan, R. Z.; Fang, H. P.J. Chem. Phys. 2010, 133, 204702. doi: 10.1063/1.3509396
37. [37]
  (37) Zhu, F.; Schulten, K. Biophys. J. 2003, 85, 236. doi: 10.1016/S0006-3495(03)74469-5
1. [1]
  Congying Lu , Fei Zhong , Zhenyu Yuan , Shuaibing Li , Jiayao Li , Jiewen Liu , Xianyang Hu , Liqun Sun , Rui Li , Meijuan Hu . Experimental Improvement of Surfactant Interface Chemistry: An Integrated Design for the Fusion of Experiment and Simulation. University Chemistry, 2024, 39(3): 283-293. doi: 10.3866/PKU.DXHX202308097
2. [2]
  Hailang JIA , Hongcheng LI , Pengcheng JI , Yang TENG , Mingyun GUAN . Preparation and performance of N-doped carbon nanotubes composite Co₃O₄ as oxygen reduction reaction electrocatalysts. Chinese Journal of Inorganic Chemistry, 2024, 40(4): 693-700. doi: 10.11862/CJIC.20230402
3. [3]
  Haihua Yang , Minjie Zhou , Binhong He , Wenyuan Xu , Bing Chen , Enxiang Liang . Synthesis and Electrocatalytic Performance of Iron Phosphide@Carbon Nanotubes as Cathode Material for Zinc-Air Battery: a Comprehensive Undergraduate Chemical Experiment. University Chemistry, 2024, 39(10): 426-432. doi: 10.12461/PKU.DXHX202405100
4. [4]
  Shule Liu . Application of SPC/E Water Model in Molecular Dynamics Teaching Experiments. University Chemistry, 2024, 39(4): 338-342. doi: 10.3866/PKU.DXHX202310029
5. [5]
  Rui Gao , Ying Zhou , Yifan Hu , Siyuan Chen , Shouhong Xu , Qianfu Luo , Wenqing Zhang . Design, Synthesis and Performance Experiment of Novel Photoswitchable Hybrid Tetraarylethenes. University Chemistry, 2024, 39(5): 125-133. doi: 10.3866/PKU.DXHX202310050
6. [6]
  Jia Zhou . Constructing Potential Energy Surface of Water Molecule by Quantum Chemistry and Machine Learning: Introduction to a Comprehensive Computational Chemistry Experiment. University Chemistry, 2024, 39(3): 351-358. doi: 10.3866/PKU.DXHX202309060
7. [7]
  Xiufang Wang , Donglin Zhao , Kehua Zhang , Xiaojie Song . “Preparation of Carbon Nanotube/SnS₂ Photoanode Materials”: A Comprehensive University Chemistry Experiment. University Chemistry, 2024, 39(4): 157-162. doi: 10.3866/PKU.DXHX202308025
8. [8]
  Jie XIE , Hongnan XU , Jianfeng LIAO , Ruoyu CHEN , Lin SUN , Zhong JIN . Nitrogen-doped 3D graphene-carbon nanotube network for efficient lithium storage. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1840-1849. doi: 10.11862/CJIC.20240216
9. [9]
  Yaling Chen . Basic Theory and Competitive Exam Analysis of Dynamic Isotope Effect. University Chemistry, 2024, 39(8): 403-410. doi: 10.3866/PKU.DXHX202311093
10. [10]
  Jinfu Ma , Hui Lu , Jiandong Wu , Zhongli Zou . Teaching Design of Electrochemical Principles Course Based on “Cognitive Laws”: Kinetics of Electron Transfer Steps. University Chemistry, 2024, 39(3): 174-177. doi: 10.3866/PKU.DXHX202309052
11. [11]
  Yeyun Zhang , Ling Fan , Yanmei Wang , Zhenfeng Shang . Development and Application of Kinetic Reaction Flasks in Physical Chemistry Experimental Teaching. University Chemistry, 2024, 39(4): 100-106. doi: 10.3866/PKU.DXHX202308044
12. [12]
  Pingping Zhu , Yongjun Xie , Yuanping Yi , Yu Huang , Qiang Zhou , Shiyan Xiao , Haiyang Yang , Pingsheng He . Excavation and Extraction of Ideological and Political Elements for the Virtual Simulation Experiments at Molecular Level: Taking the Project “the Simulation and Computation of Conformation, Morphology and Dimensions of Polymer Chains” as an Example. University Chemistry, 2024, 39(2): 83-88. doi: 10.3866/PKU.DXHX202309063
13. [13]
  Yuhao SUN , Qingzhe DONG , Lei ZHAO , Xiaodan JIANG , Hailing GUO , Xianglong MENG , Yongmei GUO . Synthesis and antibacterial properties of silver-loaded sod-based zeolite. Chinese Journal of Inorganic Chemistry, 2024, 40(4): 761-770. doi: 10.11862/CJIC.20230169
14. [14]
  Xuzhen Wang , Xinkui Wang , Dongxu Tian , Wei Liu . Enhancing the Comprehensive Quality and Innovation Abilities of Graduate Students through a “Student-Centered, Dual Integration and Dual Drive” Teaching Model: A Case Study in the Course of Chemical Reaction Kinetics. University Chemistry, 2024, 39(6): 160-165. doi: 10.3866/PKU.DXHX202401074
15. [15]
  Dexin Tan , Limin Liang , Baoyi Lv , Huiwen Guan , Haicheng Chen , Yanli Wang . Exploring Reverse Teaching Practices in Physical Chemistry Experiment Courses: A Case Study on Chemical Reaction Kinetics. University Chemistry, 2024, 39(11): 79-86. doi: 10.12461/PKU.DXHX202403048
16. [16]
  Yiying Yang , Dongju Zhang . Elucidating the Concepts of Thermodynamic Control and Kinetic Control in Chemical Reactions through Theoretical Chemistry Calculations: A Computational Chemistry Experiment on the Diels-Alder Reaction. University Chemistry, 2024, 39(3): 327-335. doi: 10.3866/PKU.DXHX202309074
17. [17]
  Yue Wu , Jun Li , Bo Zhang , Yan Yang , Haibo Li , Xian-Xi Zhang . Research on Kinetic and Thermodynamic Transformations of Organic-Inorganic Hybrid Materials for Fluorescent Anti-Counterfeiting Application information: Introducing a Comprehensive Chemistry Experiment. University Chemistry, 2024, 39(6): 390-399. doi: 10.3866/PKU.DXHX202403028
18. [18]
  You Wu , Chang Cheng , Kezhen Qi , Bei Cheng , Jianjun Zhang , Jiaguo Yu , Liuyang Zhang . ZnO/D-A共轭聚合物S型异质结高效光催化产H₂O₂及其电荷转移动力学研究. Acta Physico-Chimica Sinica, 2024, 40(11): 2406027-. doi: 10.3866/PKU.WHXB202406027
19. [19]
  Yan Li , Xinze Wang , Xue Yao , Shouyun Yu . Kinetic Resolution Enabled by Photoexcited Chiral Copper Complex-Mediated Alkene E→Z Isomerization: A Comprehensive Chemistry Experiment for Undergraduate Students. University Chemistry, 2024, 39(5): 1-10. doi: 10.3866/PKU.DXHX202309053
20. [20]
  Yufang GAO , Nan HOU , Yaning LIANG , Ning LI , Yanting ZHANG , Zelong LI , Xiaofeng LI . Nano-thin layer MCM-22 zeolite: Synthesis and catalytic properties of trimethylbenzene isomerization reaction. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1079-1087. doi: 10.11862/CJIC.20240036

Get Citation

PDF

XML

Metrics

PDF Downloads(825)
Abstract views(992)
HTML views(38)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142