Molecular dynamics simulations on the wet/dry self-latching and electric fields triggered wet/dry transitions between nanosheets: A non-volatile memory nanostructure

doi:10.1088/1674-1056/ac3811

中国物理B ›› 2022, Vol. 31 ›› Issue (2): 24703-024703.doi: 10.1088/1674-1056/ac3811

Molecular dynamics simulations on the wet/dry self-latching and electric fields triggered wet/dry transitions between nanosheets: A non-volatile memory nanostructure

Jianzhuo Zhu(朱键卓)^†, Xinyu Zhang(张鑫宇), Xingyuan Li(李兴元), and Qiuming Peng(彭秋明)^‡

State Key Laboratory of Metastable Materials Science and Technology and Key Laboratory for Microstructural Material Physics of Hebei Province, Yanshan University, Qinhuangdao 066004, China

收稿日期:2021-08-07 修回日期:2021-09-26 接受日期:2021-11-10 出版日期:2022-01-13 发布日期:2022-01-18
通讯作者: Jianzhuo Zhu, Qiuming Peng E-mail:zhujz@ysu.edu.cn;pengqiuming@ysu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11704328).

Molecular dynamics simulations on the wet/dry self-latching and electric fields triggered wet/dry transitions between nanosheets: A non-volatile memory nanostructure

Jianzhuo Zhu(朱键卓)^†, Xinyu Zhang(张鑫宇), Xingyuan Li(李兴元), and Qiuming Peng(彭秋明)^‡

State Key Laboratory of Metastable Materials Science and Technology and Key Laboratory for Microstructural Material Physics of Hebei Province, Yanshan University, Qinhuangdao 066004, China

Received:2021-08-07 Revised:2021-09-26 Accepted:2021-11-10 Online:2022-01-13 Published:2022-01-18
Contact: Jianzhuo Zhu, Qiuming Peng E-mail:zhujz@ysu.edu.cn;pengqiuming@ysu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11704328).

摘要/Abstract

摘要： We design a nanostructure composing of two nanoscale graphene sheets parallelly immersed in water. Using molecular dynamics simulations, we demonstrate that the wet/dry state between the graphene sheets can be self-latched; moreover, the wet→dry/dry→wet transition takes place when applying an external electric field perpendicular/parallel to the graphene sheets (E_⊥/E_||). This structure works like a flash memory device (a non-volatile memory):the stored information (wet and dry states) of the system can be kept spontaneously, and can also be rewritten by external electric fields. On the one hand, when the distance between the two nanosheets is close to a certain distance, the free energy barriers for the transitions dry→wet and wet→dry can be quite large. As a result, the wet and dry states are self-latched. On the other hand, an E_⊥ and an E_|| will respectively increase and decrease the free energy of the water located in-between the two nanosheets. Consequently, the wet→dry and dry→wet transitions are observed. Our results may be useful for designing novel information memory devices.

关键词: wet/dry properties, non-volatile memory nanostructure, molecular dynamics simulations

Abstract: We design a nanostructure composing of two nanoscale graphene sheets parallelly immersed in water. Using molecular dynamics simulations, we demonstrate that the wet/dry state between the graphene sheets can be self-latched; moreover, the wet→dry/dry→wet transition takes place when applying an external electric field perpendicular/parallel to the graphene sheets (E_⊥/E_||). This structure works like a flash memory device (a non-volatile memory):the stored information (wet and dry states) of the system can be kept spontaneously, and can also be rewritten by external electric fields. On the one hand, when the distance between the two nanosheets is close to a certain distance, the free energy barriers for the transitions dry→wet and wet→dry can be quite large. As a result, the wet and dry states are self-latched. On the other hand, an E_⊥ and an E_|| will respectively increase and decrease the free energy of the water located in-between the two nanosheets. Consequently, the wet→dry and dry→wet transitions are observed. Our results may be useful for designing novel information memory devices.

Key words: wet/dry properties, non-volatile memory nanostructure, molecular dynamics simulations

中图分类号: (Molecular dynamics methods)

47.11.Mn

31.15.xv (Molecular dynamics and other numerical methods)

Jianzhuo Zhu(朱键卓), Xinyu Zhang(张鑫宇), Xingyuan Li(李兴元), and Qiuming Peng(彭秋明). Molecular dynamics simulations on the wet/dry self-latching and electric fields triggered wet/dry transitions between nanosheets: A non-volatile memory nanostructure[J]. 中国物理B, 2022, 31(2): 24703-024703.

参考文献

[1] Levy Y and Onuchic J N 2006 Annu. Rev. Biophys. Biomol. Struct. 35 389
[2] Karan S, Samitsu S, Peng X S, Kurashima K and Ichinose I 2012 Science 335 444
[3] Liu H H, Yu X, Chen Y Q, Zhang J, Wu B X, Zheng L N, Haruehanroengra P, Wang R, Li S H, Lin J Z, Li J X, Sheng J, Huang Z, Ma J B and Gan J H 2017 Nat. Commun. 8 2006
[4] Castillejos E, Debouttiere P J, Roiban L, Solhy A, Martinez V, Kihn Y, Ersen O, Philippot K, Chaudret B and Serp P 2009 Angew. Chem., Int. Ed. 48 2529
[5] Zhang S F, Zhang B, Liang H J, Liu Y Q, Qiao Y and Qin Y 2018 Angew. Chem., Int. Ed. 57 1091
[6] Beckstein O, Biggin P C and Sansom M S P 2001 J. Phys. Chem. B 105 12902
[7] Beckstein O and Sansom M S P 2003 Proc. Natl. Acad. Sci. USA 100 7063
[8] Lin D C, Liu Y Y and Cui Y 2017 Nat. Nanotechnol. 12 194
[9] Zhang X Q, Liu H L and Jiang L 2019 Adv. Mater. 31 1804508
[10] Chen J Z, Wu D X, Walter E, Engelhard M, Bhattacharya P, Pan H L, Shao Y Y, Gao F, Xiao J and Liu J 2015 Nano Energy 13 267
[11] Lin D C, Liu Y Y, Liang Z, Lee H W, Sun J, Wang H T, Yan K, Xie J and Cui Y 2016 Nat. Nanotechnol. 11 626
[12] Khalil A, Rostami P, Auernhammer G K and Andrieu-Brunsen A 2021 Adv. Mater. Interfaces 8 2100252
[13] Ceratti D R, Faustini M, Sinturel C, Vayer M, Dahirel V, Jardat M and Grosso D 2015 Nanoscale 7 5371
[14] Urteaga R, Mercuri M, Gimenez R, Bellino M G and Berli C L A 2019 J. Colloid. Interface Sci. 537 407
[15] Mercuri M, Pierpauli K, Bellino M G and Berli C L A 2017 Langmuir 33 152
[16] Xiao K, Zhou Y, Kong X-Y, Xie G, Li P, Zhang Z, Wen L and Jiang L 2016 ACS Nano 10 9703
[17] Revilla R I, Guan L, Zhu X Y, Quan B G, Yang Y L and Wang C 2012 J. Phys. Chem. C 116 14311
[18] Yu X M, Qi C H and Wang C L 2018 Chin. Phys. B 27 60101
[19] Wang Y, Yu X, Wan X, Yang N and Deng C 2021 Chin. Phys. Lett. 38 94401
[20] Hu H B, Chen L B, Bao L Y and Huang S H 2014 Chin. Phys. B 23 074702
[21] Choudhury N and Pettitt B M 2007 J. Am. Chem. Soc. 129 4847
[22] Li J, Liu T, Li X, Ye L, Chen H, Fang H, Wu Z and Zhou R 2005 J. Phys. Chem. B 109 13639
[23] Li X, Li J, Eleftheriou M and Zhou R 2006 J. Am. Chem. Soc. 128 12439
[24] Huang X, Margulis C J and Berne B J 2003 Proc. Natl. Acad. Sci. USA 100 11953
[25] Huang X, Zhou R and Berne B J 2005 J. Phys. Chem. B 109 3546
[26] Choudhury N 2008 J. Phys. Chem. B 112 6296
[27] Bratko D, Daub C D, Leung K and Luzar A 2007 J. Am. Chem. Soc. 129 2504
[28] Hua L, Zangi R and Berne B J 2009 J. Phys. Chem. C 113 5244
[29] Ren X, Wang C, Zhou B, Fang H, Hu J and Zhou R 2013 Soft Matter 9 4655
[30] Vaitheeswaran S, Yin H and Rasaiah J C 2005 J. Phys. Chem. B 109 6629
[31] Vanzo D, Bratko D and Luzar A 2015 J. Phys. Chem. B 119 8890
[32] England J L, Park S and Pande V S 2008 J. Chem. Phys. 128 044503
[33] Chialvo A A, Vlcek L and Cummings P T 2013 J. Phys. Chem. C 117 23875
[34] Jorgensen W L, Maxwell D S and Tirado-Rives J 1996 J. Am. Chem. Soc. 118 11225
[35] Berendsen H J C, Grigera J R and Straatsma T P 1987 J. Phys. Chem. 91 6269
[36] Feng G, Qiao R, Huang J, Sumpter B G and Meunier V 2010 ACS Nano 4 2382
[37] Ho T A and Striolo A 2015 J. Phys. Chem. C 119 3331
[38] Kalluri R K, Ho T A, Biener J, Biener M M and Striolo A 2013 J. Phys. Chem. C 117 13609
[39] Bo Z, Yang H, Zhang S, Yang J, Yan J and Cen K 2015 Scientific Reports 5 14652
[40] Kalluri R K, Konatham D and Striolo A 2011 J. Phys. Chem. C 115 13786
[41] Yeh I C and Berkowitz M L 2000 J. Chem. Phys. 112 10491
[42] Abraham M J, Murtola T, Schulz R, Páll S, Smith J C, Hess B and Lindahl E 2015 SoftwareX 1-2 19
[43] Bussi G, Donadio D and Parrinello M 2007 J. Chem. Phys. 126 014101
[44] Berendsen H J C, Postma J P M, van Gunsteren W F, DiNola A and Haak J R 1984 J. Chem. Phys. 81 3684
[45] Darden T, York D and Pedersen L 1993 J. Chem. Phys. 98 10089
[46] Ashbaugh H S and Paulaitis M E 2001 J. Am. Chem. Soc. 123 10721
[47] Jedlovszky P, Brodholt J P, Bruni F, Ricci M A, Soper A K and Vallauri R 1998 J. Chem. Phys. 108 8528
[48] Cao Z, Peng Y, Li S, Liu L and Yan T 2009 J. Phys. Chem. C 113 3096

Molecular dynamics simulations on the wet/dry self-latching and electric fields triggered wet/dry transitions between nanosheets: A non-volatile memory nanostructure

Molecular dynamics simulations on the wet/dry self-latching and electric fields triggered wet/dry transitions between nanosheets: A non-volatile memory nanostructure

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