Flow-induced voltage generation by moving a nano-sized ionic liquids droplet over a graphene sheet: Molecular dynamics simulation

Shao, Qunfeng; Jia, Jingjing; Guan, Yongji; He, Xiaodong; Zhang, Xiaoping

doi:10.1063/1.4944611

Cited by 18 publications

(12 citation statements)

References 24 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…These results indicate that the AFVs of cations and anions nonlinearly increase and then tend to saturation over time, which provides an analogous result with previous study. 16,35 Meanwhile, Figure 3 also indicates that the accumulated displacements of cations are slightly greater than the anions. The larger accumulated displacements of cations could be caused by the different viscous drag produced by internal ILs and friction generated by SWCNT for cations and anions.…”

Section: ■ Results and Discussionmentioning

confidence: 93%

“…On the basis of the above-mentioned advanced eq , the FIV for the ILs [Emim][BF 4 ] flowing inside a (25,25) SWCNT is calculated and the result is presented in Figure . As is clear from Figure , the relatively small size model of ILs [Emim][BF 4 ] flowing in a (25, 25) SWCNT produces a FIV of about 2.22 μV at T = 300 K. This value is slightly less than the FIV (2.32 μV) produced by a nanoscale ILs [Emim][BF 4 ] droplet flowing over a single-layered graphene, and the small difference could be caused by the extra larger viscous drag and friction from the SWCNT applied to the ILs. Meanwhile, Figure also demonstrates that the FIV exhibits an approximately linear increase and then tends to saturation as the AFV increases, which is qualitatively similar to previous experimental and computational results ,,,, and arises from the balance between viscous drag from internal ILs, friction from SWCNT, and EDF from an applied acceleration.…”

Section: Results and Discussionmentioning

confidence: 97%

See 1 more Smart Citation

Ionic Liquid Filled Single-Walled Carbon Nanotubes for Flow-Induced Energy Harvesting

et al. 2019

Self Cite

View full text Add to dashboard Cite

Harvesting flow-induced energy for powering nanoelectromechanical systems offers much promise for nanotechnology. Motivated by the electric eel, which is capable of generating considerable electric shocks with highly selective ion channels and pumps on its cell membrane, herein, we employed molecular dynamics simulations to investigate the flow-induced energy harvesting through flowing three kinds of imidazolium-based ionic liquids (ILs) over single-walled carbon nanotubes (SWCNTs) with diameters varied from 1.22 to 4.07 nm at temperatures ranging from 300 to 375 K. The results show that ILs inside a SWCNT with a diameter of 3.39 nm flow at a speed of ∼19 m/s resulting in a considerable flow-induced voltage (FIV) up to 2.22 μV, and the maximal FIVs increase from 1.91 to 2.34 μV as the diameter of the SWCNT varies from 1.22 to 4.07 nm at 300 K. Further analysis shows that this FIV arises from the free charge carriers on the inner surface of SWCNTs drifting along the flow direction of ILs under the drag of the Coulomb field, and the FIV increases to saturation with increased average flow velocity of ILs which is caused by the balance between internal resistance arising from the ILs and SWCNTs and the external driving force. This work also demonstrates an advanced equation to appropriately and effectively calculate the FIV of flowing ILs inside SWCNTs on the nanoscale which involves the effect of Coulomb field present in ILs on the free charge carriers of the SWCNT inner surfaces and the characteristic of Coulomb interactions. Moreover, the dependence of FIV on anion species, temperature, and average flow velocity of ILs is also investigated.

show abstract

Section: ■ Results and Discussionmentioning

confidence: 93%

Section: Results and Discussionmentioning

confidence: 97%

Ionic Liquid Filled Single-Walled Carbon Nanotubes for Flow-Induced Energy Harvesting

et al. 2019

Self Cite

View full text Add to dashboard Cite

show abstract

“…(f) A voltage output diagram simulating different rainfall amounts [48] . Copyright © 2016 The Royal Society of Chemistry 沉积的网络状石墨烯 [49,50] , 或增加石墨烯和液滴间的黏性 [51] , 得到的电压会显著增大. Kwak等人 [47] 在石墨烯层下加入聚四氟乙烯(PTFE)增强静电摩擦效应, 结果表明0.1 mL的液滴可以产生大于100 mV的电压, 0.6 mL的液滴可产生0.4 V电压, 3个0.6 mL的液滴串联可以得到1.1 V电压(图4(e)).…”

Section: 低维碳材料水伏效应的典型机制unclassified

Sensing applications of hydrovoltaic effect in low-dimensional carbon materials

Zhou¹,

He²

2018

Chin. Sci. Bull.

View full text Add to dashboard Cite

“…Ionic liquids (ILs) composed of bulky organic cations and organic/inorganic anions have melting points near room temperature and are known as room temperature ILs (RTILs) 4,5 . RTILs have excellent physicochemical properties such as low volatilization, high chemical and thermal stability, high ionic conductivity, a large electro-chemical potential window and remarkable solubility 6,7 , which have been widely applied in lab on a chip 8 , variable-focus lenses 9 , flow-induced energy harvesting 10,11 , electro-wetting 12,13 in recent years. RTILs have attracted much theoretical interest for broad applications as environmentally friendly solvents in chemical and industrial processes, so a better understanding of physicochemical properties and structures of bulk pure RTILs is critically important for the vast majority of these applications.…”

Section: Introductionmentioning

confidence: 99%

Influence of External Electric Field on Vibrational Spectrum of Imidazolium-Based Ionic Liquids Probed by Molecular Dynamics Simulation

Chen¹,

Guan²,

Zhang³

et al. 2018

Acta Physico-Chimica Sinica

Self Cite

View full text Add to dashboard Cite

In this study, the influence of an external electric field (EEF) on the vibrational spectra of an imidazolium-based ionic liquid, 1-ethyl-3methylimidazolium hexfluorophosphate (EMIMPF6), in the wavenumber range from 0 to 4000 cm −1 was probed by molecular dynamics (MD) simulation at 350 K. The results showed that the experimentally obtained spectrum could be reproduced by the calculated vibrational bands (VBs) in the wavenumber range from 400 to 4000 cm −1 using MD simulation without any EEF. When the EEF applied increased from 0 to 9 V·nm −1 , the VB intensities at 50.0 and 199.8 cm −1 increased continuously and then tended to be saturated, while the VB intensities from 400 to 4000 cm −1 decrease and eventually disappear. Moreover, the VB at 50.0 cm −1 was red-shifted to ~16.7 cm −1 and then increased to 33.3 cm −1 as the EEF was increased from 0 to 2 and then to 3 V·nm −1 and higher. The VB at 3396.6 cm −1 was redshifted to ~16.7 cm −1 and then increased to 33.3 cm −1 as the EEF was increased from 0 to 3 and then to 4 V·nm −1 and higher; however, the position of other VBs from 0 to 4000 cm −1 remain almost unchanged. Based on further analysis of the simulation results and previously reported studies, for the VB at 50.0 cm −1 , the increasing EEF enhances the polarity between cations and anions; thus, the difference in dipole moment between the cations and the anions increases, which continually increases the VB intensity until saturation is reached. For the VB at 199.8 cm −1 , the increasing EEF intensifies the twisting of the ethyl chain, which enhances the VB intensity until saturation. For the other VBs from 400 to 4000 cm −1 , the increasing EEF makes the orientation of the cations and anions in EMIMPF6 more consistent; thus, it can be conjectured that such consistent orientation may weaken the VB intensities and can even make them disappear. The redshift of VB at 50.0 cm −1 may occur because the EEF breaks the distribution of the electrostatic field inside EMIMPF6 and then weakens the interactions between cations and anions. The redshift of VB at 3396.6 cm −1 may be attributed to the EEF weakening the stretching vibration of the hydrogen bonds formed between the N atoms and the acidic hydrogen atoms on the cationic imidazolium rings. The EEF does not change the positions of the other VBs because the inherent stretching, bending, and rocking vibration of functional groups are not affected by the EEF.

show abstract

Flow-induced voltage generation by moving a nano-sized ionic liquids droplet over a graphene sheet: Molecular dynamics simulation

Cited by 18 publications

References 24 publications

Ionic Liquid Filled Single-Walled Carbon Nanotubes for Flow-Induced Energy Harvesting

Ionic Liquid Filled Single-Walled Carbon Nanotubes for Flow-Induced Energy Harvesting

Sensing applications of hydrovoltaic effect in low-dimensional carbon materials

Influence of External Electric Field on Vibrational Spectrum of Imidazolium-Based Ionic Liquids Probed by Molecular Dynamics Simulation

Contact Info

Product

Resources

About