Layering of confined water between two graphene sheets and its liquid-liquid transition

doi:10.1088/1674-1056/26/10/106401

Abstract

Molecular dynamics (MD) simulations are performed to explore the layering structure and liquid-liquid transition of liquid water confined between two graphene sheets with a varied distance at different pressures. Both the size of nanoslit and pressure could cause the layering and liquid-liquid transition of the confined water. With increase of pressure and the nanoslit's size, the confined water could have a more obvious layering. In addition, the neighboring water molecules firstly form chain structure, then will transform into square structure, and finally become triangle with increase of pressure. These results throw light on layering and liquid-liquid transition of water confined between two graphene sheets.

Keywords: confined water layering liquid-liquid transition

Received: 13 June 2017
Revised: 22 July 2017
Accepted manuscript online:

PACS:	64.70.Ja	(Liquid-liquid transitions)
	64.70.Nd	(Structural transitions in nanoscale materials)
	64.70.pm	(Liquids)

Fund:

Project supported by the National Natural Science Foundation of China (Grant No. 51271100), the National Key Research Program of China (Grant No. 2016YFB0300501), and the Taishan Scholar Construction Engineering.

Corresponding Authors: Hui Li
E-mail: lihuilmy@hotmail.com

Cite this article:

Xuyan Zhou(周戌燕), Yunrui Duan(段云瑞), Long Wang(王龙), Sida Liu(刘思达), Tao Li(李涛), Yifan Li(李一凡), Hui Li(李辉) Layering of confined water between two graphene sheets and its liquid-liquid transition 2017 Chin. Phys. B 26 106401

[1]	Brown G E 2001 Science 294 67
[2]	Zangi R 2004 J. Phys.:Condens. Matter 16 S5371
[3]	Pratt L R and Pohorille A 2002 Chem. Rev. 102 2671
[4]	Sansom M S P and Biggin P C 2001 Nature 414 156
[5]	Tajkhorshid E, Nollert P, Jensen M O, Miercke L J, O'Connell J, Stroud R M and Schulten K 2002 Science 296 525
[6]	Lu X, Shi R, Hao C, Chen H, Zhang L, Li J, Xu G and Sun R 2016 Chin. Phys. B 25 090506
[7]	Ren H, Li X, Li H, Zhang L and Wu W 2015 Phys. Chem. Chem. Phys. 17 11284
[8]	Ren H, Zhang L, Li X, Li Y, Wu W and Li H 2015 Phys. Chem. Chem. Phys. 17 23460
[9]	Gao X, Wang Q, Sun G, Li C X and Hu L 2016 Chin. Phys. B 25 026801
[10]	Yi Z, Deng P N, Zhang L L and Li H 2016 Chin. Phys. B 25 106401
[11]	Shao W H and Chen W Z 2015 Chin. Phys. B 24 054701
[12]	Bellissent-Funel M C 2001 J. Phys.:Condens. Matter 13 9165
[13]	Kumar P, Buldyrev S V, Starr F W, Giovambattista N and Stanley H E 2005 Phys. Rev. E 72 051503
[14]	Mishima O, Calvert L D and Whalley E 1985 Nature 314 76
[15]	Mishima O 1994 J. Chem. Phys. 100 5910
[16]	Poole P H, Sciortino F, Essmann U and Stanley H E 1992 Nature 360 324
[17]	Palmer J C, Martelli F, Liu Y, Car R, Panagiotopoulos A Z and Debenedetti P G 2014 Nature 510 385
[18]	Mishima O and Stanley H E 1998 Nature 392 164
[19]	Poole P H, Becker S R, Sciortino F and Starr F W 2011 J. Phys. Chem. B 115 14176
[20]	Mallamace F, Broccio M, Corsaro C, Faraone A, Majolino D, Venuti V, Liu L, Mou C Y and Chen S H 2007 Proc. Natl. Acad. Sci. USA 104 424
[21]	Huang C, Wikfeldt K T, Tokushima T, Nordlund D, Harada Y, Bergmann U, Niebuhr M, Weiss T M, Horikawa Y, Leetmaa M, Ljungberg M P, Takahashi O, Lenz A, Ojamäe L, Lyubartsev A P, Shin S, Pettersson L G M and Nilsson A 2009 Proc. Natl. Acad. Sci. USA 106 15214
[22]	Soper A K and Ricci M A 2000 Phys. Rev. Lett. 84 2881
[23]	Brovchenko I, Geiger A and Oleinikova A 2005 J. Chem. Phys. 123 044515
[24]	Meyer M and Stanley H E 1999 J. Phys. Chem. B 103 9728
[25]	Ricci M A, Bruni F, Gallo P, Rovere M and Soper A K 2000 J. Phys.:Condens. Matter 12 A345
[26]	Truskett T M, Debenedetti P G and Torquato S 2001 J. Chem. Phys. 114 2401
[27]	Qiu H, Zeng X C and Guo W 2015 ACS Nano 9 9877
[28]	Giovambattista N, Rossky P J and Debenedetti P G 2006 Phys. Rev. E 73 041604
[29]	Bai J and Zeng X C 2012 Proc. Natl. Acad. Sci. USA 109 21240
[30]	Koga K, Tanaka H and Zeng X C 2000 Nature 408 564
[31]	Zangi R and Mark A E 2003 Phys. Rev. Lett. 91 025502
[32]	Kaneko T, Bai J, Yasuoka K, Mitsutake A and Zeng X C 2014 J. Chem. Phys. 140 184507
[33]	Zhu Y, Wang F, Bai J, Zeng X C and Wu H 2015 ACS Nano 9 12197
[34]	Jinesh K B and Frenken J W M 2008 Phys. Rev. Lett. 101 036101
[35]	Faraone A, Liu L, Mou C Y, Yen C W and Chen S H 2004 J. Chem. Phys. 121 10843
[36]	Gallo P, Ricci M A and Rovere M 2002 J. Chem. Phys. 116 342
[37]	Hanasaki I and Nakatani A 2006 J. Chem. Phys. 124 174714
[38]	Gordillo M C and Marti J 2000 Chem. Phys. Lett. 329 341
[39]	Bai J, Angell C A and Zeng X C 2010 Proc. Natl. Acad. Sci. USA 107 5718
[40]	Zangi R and Mark A E 2003 J. Chem. Phys. 119 1694
[41]	Giovambattista N, Rossky P J and Debenedetti P G 2009 Phys. Rev. Lett. 102 050603
[42]	Fowlkes J D, Kondic L, Diez J, Wu Y and Rack P D 2011 Nano Lett. 11 2478
[43]	Jorgensen W L, Chandrasekhar J, Madura J D, Impey R W and Klein M L 1983 J. Chem. Phys. 79 926
[44]	Krätler V, Van Gunsteren W F and Hünenberger P H 2001 J. Comput. Phys. 22 501
[45]	Stuart S J, Tutein A B and Harrison J A 2000 J. Chem. Phys. 112 6472
[46]	Matubayasi N and Nakahara M 1999 J. Chem. Phys. 110 3291
[47]	Huisman W J, Peters J F, Zwanenburg M J, de Vries S A, Derry T E, Abernathy D and van der Veen J F 1997 Nature 390 379
[48]	Choudhury N and Pettitt B M 2005 J. Am. Chem. Soc. 127 3556
[49]	Wu W, Zhang L, Liu S, Ren H, Zhou X and Li H 2016 J. Am. Chem. Soc. 138 2815

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Layering of confined water between two graphene sheets and its liquid-liquid transition

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