Squeezing water clusters between graphene sheets: energetics, structure, and intermolecular interactions

2014 ◽  
Vol 16 (47) ◽  
pp. 26004-26015 ◽  
Author(s):  
S. McKenzie ◽  
H. C. Kang
Keyword(s):  
Intermolecular Interactions ◽  
Water Clusters ◽  
Graphene Sheets

The behavior of water confined at the nanoscale between graphene sheets has attracted much theoretical and experimental attention recently.

Two-Dimensional Icy Water Clusters Between a Pair of Graphene-Like Molecules or Graphene Sheets

2016 ◽  
Vol 120 (34) ◽  
pp. 19212-19224
Author(s):  
Seong Kyu Kim ◽  
Wenzhou Chen ◽  
Saeed Pourasad ◽  
Kwang S. Kim
Keyword(s):  
Water Clusters ◽  
Graphene Sheets ◽  
Two Dimensional

scholarly journals How does the composition of a PAH influence its microsolvation? A rotational spectroscopy study of the phenanthrene-water and phenanthridine-water clusters

2021 ◽  
Author(s):  
Donatella Loru ◽  
Amanda L Steber ◽  
Pablo Pinacho ◽  
Sébastien Gruet ◽  
Berhane Temelso ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Intermolecular Interactions ◽  
Aromatic Hydrocarbons ◽  
Water Clusters ◽  
Noncovalent Interactions ◽  
Rotational Spectroscopy ◽  
Water Molecules ◽  
Spectroscopy Study ◽  
Polycyclic Aromatic ◽  
Aromatic Systems

We report on the noncovalent intermolecular interactions established between the polycyclic aromatic hydrocarbons phenanthrene and phenanthridine with water. Such noncovalent interactions involving extended aromatic systems and water molecules are ubiquitous...

The Effect of Intermolecular Interactions in Some Water Clusters and Hydrates of the Hydronium and Hydroxyl Ions, on their Polarisability and Hyperpolarisabilities. A Comparative Study

1988 ◽  
Vol 43 (3) ◽  
pp. 253-261 ◽  
Author(s):  
J. Waite ◽  
M. G. Papadopoulos
Keyword(s):  
Comparative Study ◽  
Intermolecular Interactions ◽  
Water Clusters ◽  
Basis Set ◽  
Cndo Method ◽  
Charge Shape ◽  
Shape And Size

The polarisability and hyperpolarisabilities of (H2O)n, H3O+ (H2O)n and OH- (H2O)n are computed by the CHF-PT-EB-CNDO method. The basis set has been optimized with respect to the polarisability and second hyperpolarisability of H2O. The effect of intermolecular interactions, in the water clusters and the hydrates of the ions on their polarisability and hyperpolarisabilities, and their variation with charge, shape and size of the aggregates is discussed.

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