Arrangements of hydroxyl groups on graphene sheets were
systematically
investigated using density functional theory calculations that included
van der Waals interactions. Results show that hydroxyl groups tend
to gather at para-positions on graphene sheets to
generate perfect ring-like hexahydroxyl group adsorption. The close
proximity of hydroxyl groups is in good agreement with the experimental
separation between unoxidized, aromatic and oxidized, saturated regions
in graphene oxide. The orientation of hydrogen atoms in hydroxyl groups
creates both O–H···O and O–H···π
hydrogen bonds. Calculations also indicated that the binding energy
per hydroxyl group follows a logarithmic function with respect to
the number of hydroxyl groups. Besides, the opening band gap was observed
for several derivatives, and the relationship between the band gap
and O/C ratio was found to be nonmonotonic. Analysis of the density
of states showed that bands around the Fermi levels of derivatives
between graphene and hydroxyl groups are mainly composed of 2p
z
orbitals of carbon and oxygen atoms.
The complexes of
cetyl alcohol, cetomacrogol-1000, and water were
successfully synthesized. The complexes were characterized by freeze-drying
scanning electron microscopy, small-angle X-ray diffraction (SAXD),
and ultra-SAXD. Furthermore, structures, electronic properties (the
HOMO–LUMO gap, ionization potential, electron affinity, electronegativity,
hardness, softness, dipole moment, and polarizability), and Raman
spectra of cetyl alcohol, cetomacrogol-1000, and their binary and
ternary complexes with water were also studied using density functional
theory. The calculated lengths of hydrophilic heads in the ternary
complexes were in good agreement with SAXD data. The results indicated
the existence of two types of interlamellar spacings between successive
swollen bilayers (approximately 144 and 72 Å) when polyoxyethylene
groups of cetomacrogol-1000 molecules were completely hydrated and
stretched. Besides, in comparison with the monomers, the ternary complex
of cetyl alcohol, cetomacrogol-1000, and water with the molecular
ratio of 1:1:1 (cetyl-ceto-H2O-1 complex) had outstanding
properties.
The paper examines the impact of capital structure on the liquidity of listed shares on the Ho Chi Minh City Stock Exchange, which includes 1078 observations during the period of 2011 – 2017. In addition to the capital structure, the study also looked at the impact of controlled variables including profitability (ROS), corporate value (Tobin’s Q) and size of the business (SIZE) on the liquidity of listed shares. The results show that the capital structure has inherently inverse relationship, while the controlled variables in the model have a positive relationship with stocks’ liquidity.
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