A new insight on the hydrogen bonding structures of nanoconfined water: a Raman study

Crupi, V.; Interdonato, S.; Longo, Francesca; Majolino, D.; Migliardo, P.; Venuti, Valentina

doi:10.1002/jrs.1857

Cited by 60 publications

(72 citation statements)

References 23 publications

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“…24,75,76 For example, Huang et al measured the Raman spectrum of H 2 O confined in 6.9 nm diameter Vycor glass and compared it to the bulk water spectrum. 24 They found that the key differences between bulk and confined water are a general blue-shifting of the spectrum along with the appearance of a shoulder on the high-frequency side.…”

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confidence: 99%

Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

Burris

Laage

Thompson

2016

The Journal of Chemical Physics

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Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D 2 O is considered. An empirical mapping approach is used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. The simulated spectra indicates that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra. Published by AIP Publishing. [http://dx

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confidence: 99%

Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

Burris

Laage

Thompson

2016

The Journal of Chemical Physics

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“…We also give Raman spectra of the bare mica for reference. All graphene spectra are monolayer, as determined by the peak height I 2D /I G ratio, 45 the 2D band position, and the 2D full width at half maximum (FWHM). 46 The dry transferred graphene possesses a G band at ω 53 The 2D band, however, shifts from ω 2D,b = 2651 cm -1 to ω 2D,a = 2666 cm -1 after the degas, the opposite direction of what is expected for the elimination of a p-type dopant.…”

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Scanning Tunneling Microscopy Study and Nanomanipulation of Graphene-Coated Water on Mica

et al. 2012

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We study interfacial water trapped between a sheet of graphene and a muscovite (mica) surface using Raman spectroscopy and ultra-high vacuum scanning tunneling microscopy (UHV-STM) at room temperature. We are able to image the graphene-water interface with atomic resolution, revealing a layered network of water trapped underneath the graphene. We identify water layer numbers with a carbon nanotube height reference. Under normal scanning conditions, the water structures remain stable. However, at greater electron energies, we are able to locally manipulate the water using the STM tip. KEYWORDSGraphene, water, mica, scanning probe microscopy, atomic resolution, STM, RamanThe interface between water and various surfaces 1,2 at room temperature has been of great interest to scientists due to its relevance in geology, 3 biology, 4 and most recently, electronics. 5,6 It has been demonstrated that water behaves very differently at an interface than it does in the bulk state, forming semi-ordered "hydration layers" close to the solid surface. [7][8][9][10] However, the exact nature of these hydration layers are still not well understood and remains the source of much controversy. 11 Recent studies utilizing AFM and other methods have made 2 progress towards putting some of these controversies to rest, 6,11-14 but atomic-resolution imaging of the interface had not yet been achieved.Graphene 6,[15][16][17][18][19][20] has already been extensively characterized by surface imaging techniques on a variety of substrates, [21][22][23][24][25][26] but only recently has it started to see use as a template for studying other molecules, 13,27,28 Graphene is ideal for coating and trapping volatile molecules for both scanning probe microscopy 13,27,29 and electron microscopy 28 studies in that it is conductive, chemically inert, impermeable, 30 and atomically conforms to most substrates. 31 In this letter, we build upon the work performed by Xu et al. 13 and use the atomic resolution and cleanliness of the ultrahigh vacuum scanning tunneling microscope (UHV-STM) to characterize water confined between monolayer graphene and the mica surface at room temperature. Unlike previous studies of graphene on mica, 6,13,14,27,29,31,32 we use graphene grown on copper via chemical vapor deposition (CVD) 33,34 rather than graphene mechanically exfoliated from graphite. 19 While CVD graphene is inferior to exfoliated graphene in terms of carrier mobility, this drawback is offset by the ability to manufacture large, monolayer sheets and transfer them onto arbitrary substrates. 34Our CVD process uses a methane-to-hydrogen partial pressure ratio of 2:1, as lower ratios give higher monolayer coverage. 35,36 Previous work 33 and the supporting information give more details on our growth procedure. We transfer graphene to mica with polymethyl methylacrylate (PMMA) and use successive deionized (DI) water baths to clean the graphene films from etchant contamination. The final transfer occurs on a freshly cleaved mica surface within a DI bath in co...

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“…The spectra of M 1 and M 2 show a very strong and broad peak at 3330 cm À 1 for the hydroxyl (O-H) stretching vibration, while this peak of M 3 is weak. This may be due to the weak hydrogen bond interactions induced by the flexible hydrophobic chains [29]. From these results, it can be demonstrated that three types of membranes were prepared successfully as designed.…”

Section: Structural and Morphological Characterizationsmentioning

confidence: 91%

Effect of different ion-aggregating structures on the property of proton conducting membrane based on polyvinyl alcohol

Yang

Lü

Gao

et al. 2015

Journal of Membrane Science

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A new insight on the hydrogen bonding structures of nanoconfined water: a Raman study

Cited by 60 publications

References 23 publications

Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

Scanning Tunneling Microscopy Study and Nanomanipulation of Graphene-Coated Water on Mica

Effect of different ion-aggregating structures on the property of proton conducting membrane based on polyvinyl alcohol

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