scholarly journals Sodium Halide Adsorption and Water Structure at the α-Alumina(0001)/Water Interface

2019 ◽  
Vol 123 (25) ◽  
pp. 15618-15628 ◽  
Author(s):  
Ruiyu Wang ◽  
Mark DelloStritto ◽  
Richard C. Remsing ◽  
Vincenzo Carnevale ◽  
Michael L. Klein ◽  
...  
Keyword(s):  
Water Structure ◽  
Water Interface

scholarly journals Spectroscopic BIL-SFG Invariance Hides the Chaotropic Effect of Protons at the Air-Water Interface

Atmosphere ◽  
2018 ◽  
Vol 9 (10) ◽  
pp. 396 ◽  
Author(s):  
Simone Pezzotti ◽  
Marie-Pierre Gaigeot
Keyword(s):  
Water Structure ◽  
Md Simulations ◽  
Interfacial Structure ◽  
Water Interface ◽  
Sum Frequency ◽  
Hydronium Ion ◽  
Sum Frequency Generation Spectroscopy ◽  
Air Water Interface ◽  
Ph Conditions ◽  
Shed Light

The knowledge of the water structure at the interface with the air in acidic pH conditions is of utmost importance for chemistry in the atmosphere. We shed light on the acidic air-water (AW) interfacial structure by DFT-MD simulations of the interface containing one hydronium ion coupled with theoretical SFG (Sum Frequency Generation) spectroscopy. The interpretation of SFG spectra at charged interfaces requires a deconvolution of the signal into BIL (Binding Interfacial Layer) and DL (Diffuse Layer) SFG contributions, which is achieved here, and hence reveals that even though H 3 O + has a chaotropic effect on the BIL water structure (by weakening the 2D-HBond-Network observed at the neat air-water interface) it has no direct probing in SFG spectroscopy. The changes observed experimentally in the SFG of the acidic AW interface from the SFG at the neat AW are shown here to be solely due to the DL-SFG contribution to the spectroscopy. Such BIL-SFG and DL-SFG deconvolution rationalizes the experimental SFG data in the literature, while the hydronium chaotropic effect on the water 2D-HBond-Network in the BIL can be put in perspective of the decrease in surface tension at acidic AW interfaces.

scholarly journals What Vibrational Spectroscopy Tells about Water Structure at the Electrified Palladium–Water Interface

2020 ◽  
Vol 124 (24) ◽  
pp. 13240-13248 ◽  
Author(s):  
Yue-Jiao Zhang ◽  
Zhang-Fei Su ◽  
Jian-Feng Li ◽  
Jacek Lipkowski
Keyword(s):  
Vibrational Spectroscopy ◽  
Water Structure ◽  
Water Interface

Effect of polymer adsorption on the water structure at the quartz/water interface studied by optical sum frequency generation

2007 ◽  
Vol 601 (22) ◽  
pp. 5173-5179 ◽  
Author(s):  
H. Sano ◽  
H. Yoshida ◽  
T. Oosugi ◽  
T. Murakami ◽  
Y. Takagawa ◽  
...  
Keyword(s):  
Water Structure ◽  
Polymer Adsorption ◽  
Sum Frequency Generation ◽  
Water Interface ◽  
Sum Frequency ◽  
Frequency Generation

scholarly journals Nucleation and dissociation of methane clathrate embryo at the gas–water interface

2019 ◽  
Vol 116 (47) ◽  
pp. 23410-23415
Author(s):  
Rongda Liang ◽  
Huijie Xu ◽  
Yuneng Shen ◽  
Shumei Sun ◽  
Jiyu Xu ◽  
...  
Keyword(s):  
Water Structure ◽  
Bulk Water ◽  
Interfacial Structure ◽  
Water Interface ◽  
Energy And Environment ◽  
Sum Frequency ◽  
Natural Energy ◽  
Different Temperatures ◽  
Higher Temperature ◽  
Methane Clathrate

Among natural energy resources, methane clathrate has attracted tremendous attention because of its strong relevance to current energy and environment issues. Yet little is known about how the clathrate starts to nucleate and disintegrate at the molecular level, because such microscopic processes are difficult to probe experimentally. Using surface-specific sum-frequency vibrational spectroscopy, we have studied in situ the nucleation and disintegration of methane clathrate embryos at the methane-gas–water interface under high pressure and different temperatures. Before appearance of macroscopic methane clathrate, the interfacial structure undergoes 3 stages as temperature varies, namely, dissolution of methane molecules into water interface, formation of cage-like methane–water complexes, and appearance of microscopic methane clathrate, while the bulk water structure remains unchanged. We find spectral features associated with methane–water complexes emerging in the induction time. The complexes are present over a wide temperature window and act as nuclei for clathrate growth. Their existence in the melt of clathrates explains why melted clathrates can be more readily recrystallized at higher temperature, the so-called “memory effect.” Our findings here on the nucleation mechanism of clathrates could provide guidance for rational control of formation and disintegration of clathrates.

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