A Molecular Dynamics Simulation Study of the Effect of External Electric Field on the Water Surface Potential
- Corresponding author: Yang Yang, yyang@phy.ecnu.edu.cn
Citation: Yang Pengli, Wang Zhenxing, Liang Zun, Liang Hongtao, Yang Yang. A Molecular Dynamics Simulation Study of the Effect of External Electric Field on the Water Surface Potential[J]. Acta Chimica Sinica, ;2019, 77(10): 1045-1053. doi: 10.6023/A19060205
Bateni, A.; Susnar, S. S.; Amirfazli, A.; Neumann, A. W. Langmuir 2004, 20, 7589.
doi: 10.1021/la0494167
Bateni, A.; Laughton, S. J.; Tavana, H.; Susnar, S. S.; Amirfazli, A.; Neumann, A. Colloid Interface Sci. 2005, 283, 215.
doi: 10.1016/j.jcis.2004.08.134
Eggers, J.; Villermaux, E. Rep. Prog. Phys. 2008, 71, 036601.
doi: 10.1088/0034-4885/71/3/036601
Yan, J. Y.; Patey, G. N. J. Phys. Chem. Lett. 2011, 2, 2555.
doi: 10.1021/jz201113m
Yan, J. Y.; Patey, G. N. J. Phys. Chem. A 2012, 116, 7057.
doi: 10.1021/jp3039187
Yan, J. Y.; Patey, G. N. J. Chem. Phys. 2013, 139, 144501.
doi: 10.1063/1.4824139
Yan, J.; Overduin, S. D.; Patey, G. N. J. Chem. Phys. 2014, 141, 074501.
doi: 10.1063/1.4892586
Zhang, Z. S.; Liu, X. Y. Chem. Soc. Rev. 2018, 47, 7116.
doi: 10.1039/C8CS00626A
Dash, J. G.; Rempel, A. W.; Wettlaufer, J. S. Rev. Mod. Phys. 2006, 78, 3.
Qiu, H.; Guo, W. L. Phys. Rev. Lett. 2013, 110, 195701.
doi: 10.1103/PhysRevLett.110.195701
Mei, F.; Zhou, X. Y.; Kou, J. L.; Wu, F. M.; Wang, C. L.; Lu, H. J. J. Chem. Phys. 2015, 142, 134704.
doi: 10.1063/1.4916521
Zangi, R.; Mark, A. E. J. Chem. Phys. 2004, 120, 7123.
doi: 10.1063/1.1687315
Choi, E. M.; Yoon, Y. H.; Lee, S.; Kang, H. Phys. Rev. Lett. 2005, 95, 085701.
doi: 10.1103/PhysRevLett.95.085701
Ehre, D.; Lavert, E.; Lahav, M.; Lubomirsky, L. Science 2010, 327, 672.
doi: 10.1126/science.1178085
Carpenter, K.; Bahadur, V. Langmuir 2015, 31, 2243.
doi: 10.1021/la504792n
Nandi, P. K.; Burnham, C. J.; English, N. J. J. Chem. Phys. 2018, 148, 044503.
doi: 10.1063/1.5004509
Zaragoza, A.; Espinosa, J. R.; Ramos, R.; Cobos, J. A.; Aragones, J. L.; Vega, C.; Sanz, E.; Ramírez, J.; Valeriani, C. J. Phys.: Condens. Mat. 2018, 30, 174002.
doi: 10.1088/1361-648X/aab464
Fernández, M. S.; Peeters, F. M.; Neek-Amal, M. Phys. Rev. B 2016, 94, 045436.
doi: 10.1103/PhysRevB.94.045436
Vorob'ev, V. S.; Malyshenko, S. P. Phys. Rev. Lett. 2006, 96, 075701.
doi: 10.1103/PhysRevLett.96.075701
Maerzke, K. A.; Siepmann, J. I. J. Phys. Chem. B 2010, 114, 4261.
doi: 10.1021/jp9101477
Aragones, J. L.; MacDowell, L. G.; Siepmann, J. I.; Vega1, C. Phys. Rev. Lett. 2011, 107, 155702.
doi: 10.1103/PhysRevLett.107.155702
Skinnera, L. B.; Benmorea, C. J.; Shyama, B.; J. K. R. Webera, J. K. R; Pariseb, J. B. Proc. Nat. Acad. Sci. U. S. A. 2012, 109, 16463.
doi: 10.1073/pnas.1210732109
Saitta, A. M.; Saija, F.; Giaquinta, P. V. Phys. Rev. Lett. 2012, 108, 207801.
doi: 10.1103/PhysRevLett.108.207801
Futera, Z.; English, N. J. J. Chem. Phys. 2017, 147, 031102.
doi: 10.1063/1.4994694
Warshavsky, V. B.; Bykov, T. V.; Zeng, X. C. J. Chem. Phys. 2001, 114, 1.
doi: 10.1063/1.1334599
Han, G. Z.; Meng, J. J. Continuum Mech. Thermodyn. 2018, 30, 817.
doi: 10.1007/s00161-018-0644-8
Hayes, C. F. J. Phys. Chem. 1975, 79, 16.
Pethica, B. A. Langmuir 1998, 14, 3115.
doi: 10.1021/la971142i
Sato, M.; Kudo, N.; Saito, N. IEEE Transactions on Industry Applications 1998, 34, 2.
Vega, C.; Abascal, J. L. F. Phys. Chem. Chem. Phys. 2011, 13, 19663.
doi: 10.1039/c1cp22168j
Moore, S. G.; Stevens, M. J.; Grest, G. S. Phys. Rev. E 2015, 91, 022309.
Shi, B.; Agnihotri, M. V.; Chen, S. H.; Black, R.; Singer, S. J. J. Chem. Phys. 2016, 144, 164702.
doi: 10.1063/1.4945760
Koski, J. P.; Moore, S. G.; Grest, G. S.; Stevens, M. J. Phys. Rev. E 2017, 96, 063106.
doi: 10.1103/PhysRevE.96.063106
Nikzad, M.; Azimian, A. R.; Rezaei, M.; Nikzad, S. J. Chem. Phys. 2017, 147, 204701.
doi: 10.1063/1.4985875
Jackson, J. D. Classical Electrodynamics, 3rd ed., Wiley, Hoboken, NJ, 1999.
Griffiths, D. J. Introduction to Electrodynamics, 3rd ed.: Prentice-Hall, Upper Saddle River, NJ, 1999.
Fumagalli, L.; Esfandiar, A.; Fabregas, R.; Hu, S.; Ares, P.; Janardanan1, A.; Yang, Q.; Radha, B.; Taniguchi, T.; Watanabe, K.; Gomila, G.; Novoselov, K. S.; Geim, A. K. Science 2018, 360, 1339.
doi: 10.1126/science.aat4191
Willard, A. P.; Reed, S. K.; Madden, P. A.; Chandler, D. Faraday Discuss. 2009, 141, 423.
doi: 10.1039/B805544K
Vatamanu, J.; Borodin, O.; Smith, G. D. J. Am. Chem. Soc. 2010, 132, 14825.
doi: 10.1021/ja104273r
Merlet, C.; Salanne, M.; Rotenberg, B.; Madden, P. A. J. Phys. Chem. C 2011, 115, 16613.
doi: 10.1021/jp205461g
Merlet, C.; Rotenberg, B.; Madden, P. A.; Taberna, P.-L.; Simon, P.; Gogotsi, Y.; Salanne, M. Nat. Mater. 2012, 11, 306.
doi: 10.1038/nmat3260
Limmer, D. T.; Merlet, C.; Salanne, M.; Chandler, D.; Madden, P. A.; van Roij, P.; Rotenberg, B. Phys. Rev. Lett. 2013, 111, 106102.
doi: 10.1103/PhysRevLett.111.106102
Limmer, D. T.; Willard, A. P.; Madden, P.; Chandler, D. Proc. Nat. Acad. Sci. U. S. A. 2013, 110, 4200.
doi: 10.1073/pnas.1301596110
Vatamanu, J.; Vatamanu, M.; Bedrov, D. ACS Nano 2015, 9, 5999.
doi: 10.1021/acsnano.5b00945
Vatamanu, J.; Bedrov, D. J. Phys. Chem. Lett. 2015, 6, 3594.
doi: 10.1021/acs.jpclett.5b01199
Limmer, D. T.; Willard, A. P.; Madden, P. A.; Chandler, D. J. Phys. Chem. C 2015, 119, 24016.
doi: 10.1021/acs.jpcc.5b08137
Parsons, R. Modern Aspects of Electrochemistry, Vol. 1, Ed.: Bokris, J. O.-M. London, Butterworths, 1954.
Matsumoto, M.; Kataoka, Y. J. Chem. Phys. 1988, 88, 3233.
doi: 10.1063/1.453919
Brodskaya, E. N.; Zakharov, V. V. J. Chem. Phys. 1995, 2, 4595.
Wilson, M. A.; Pohorille, A.; Pratt, L. R. J. Chem. Phys. 1988, 88, 3281.
doi: 10.1063/1.453923
Sokhan, V. P.; Tildesley, D. J. Mol. Phys. 1997, 92, 625.
doi: 10.1080/002689797169916
Kathmann, S. M.; Kuo, I. W.; Mundy, C. J. J. Am. Chem. Soc. 2008, 130, 16556.
doi: 10.1021/ja802851w
Harder, E.; Roux, B. J. Chem. Phys. 2008, 129, 234706.
doi: 10.1063/1.3027513
Randles, J. E. B. Phys. Chem. Liq. 1977, 7, 107.
doi: 10.1080/00319107708084730
Pratt, L. R. J. Phys. Chem. 1992, 96, 25.
doi: 10.1021/j100180a010
Barraclough, C. G.; McTigue, P. T.; Ng, Y. L. J. Electroanal. Chem. 1992, 329, 9.
doi: 10.1016/0022-0728(92)80205-I
Parfenyuk, V. I. Colloid J. 2002, 64, 588.
doi: 10.1023/A:1020614010528
Yang, L.; Fishbine, B. H.; Migliori, A.; Pratt, L. R. J. Am. Chem. Soc. 2009, 131, 12373.
doi: 10.1021/ja9044554
Yang, L.; Fishbine, B. H.; Migliori, A.; Pratt, L. R. J. Chem. Phys. 2010, 132, 044701.
doi: 10.1063/1.3294560
Shim, Y.; Kim, H. J.; Jung, Y. Faraday Discuss. 2012, 154, 249.
doi: 10.1039/C1FD00086A
Feng, G.; Cummings, P. T. J. Phys. Chem. Lett. 2011, 2, 2859.
doi: 10.1021/jz201312e
Feng, G.; Li, S.; Atchison, J. S.; Presser, V.; Cummings, P. T. J. Phys. Chem. C 2013, 117, 9178.
doi: 10.1021/jp403547k
Reed, S. K.; Lanning, O. J.; Madden, P. A. J. Chem. Phys. 2007, 126, 084704.
doi: 10.1063/1.2464084
Reed, S. K.; Madden, P. A.; Papadopoulos, A. J. Chem. Phys. 2008, 128, 124701.
doi: 10.1063/1.2844801
Gingrich, T. R.; Wilson, M. Chem. Phys. Lett. 2010, 500, 178.
doi: 10.1016/j.cplett.2010.10.010
Wang, Z. X.; Yang, Y.; Olmsted, D. L.; Asta, M. Laird, B. B. J. Chem. Phys. 2014, 141, 184102.
Doppenschmidt, A.; Butt, H.-J. Langmuir 2000, 16, 6709.
doi: 10.1021/la990799w
Pickering, I.; Paleico, M.; Sirkin, Y. A. P.; Scherlis, D. A.; Factorovich, M. H. J. Phys. Chem. B 2018, 122, 4880.
doi: 10.1021/acs.jpcb.8b00784
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
doi: 10.1021/j100308a038
Yeh, I. C.; Berkowitz, M. J. Chem. Phys. 1999, 111, 3155.
doi: 10.1063/1.479595
Ciccotti, G.; Ryckaert, J. P. Comput. Phys. Rep. 1986, 4, 346.
doi: 10.1016/0167-7977(86)90022-5
Alejandre, J.; Chapela, D. J. T. A. J. Chem. Phys. 1995, 120, 15.
Wang, Z. X.; Olmsted, D. L.; Asta, M.; Laird, B. B. J. Phys. Condens. Matter 2016, 28, 464006.
doi: 10.1088/0953-8984/28/46/464006
Smith, G., Numerical Solution of Partial Differential Equations: Finite Difference Methods, Oxford, Clarendon, 1985.
Sachs, J. N.; Crozier, P. S.; Woolf, T. B. J. Chem. Phys. 2004, 121, 10847.
doi: 10.1063/1.1826056
Li, S.; Feng, G.; Cummings, P. T. J. Phys. Condens. Matter 2014, 26, 284106.
doi: 10.1088/0953-8984/26/28/284106
Skollermo, G. Math. Comput. 1975, 29, 697.
Yang, Y.; Laird, B. B. J. Phys. Chem. B 2014, 118, 8373.
Reynolds, W., Thermodynamic Properties in SI: Graphs, Tables, and Computational Equations for Forty Substances, Stanford, CA, Dept. of Mechanical Engineering, Stanford University, 1979.
Warshavsky, V.; Zeng, X. C. Phy. Rev. E 2003, 68, 051203
doi: 10.1103/PhysRevE.68.051203
Richmond, G. L. Chem. Rev. 2002, 102, 2693.
doi: 10.1021/cr0006876
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