2 research outputs found
Bond Order Analysis Based on the Laplacian of Electron Density in Fuzzy Overlap Space
Bond
order is an important concept for understanding the nature
of a chemical bond. In this work, we propose a novel definition of
bond order, called the Laplacian bond order (LBO), which is defined
as a scaled integral of negative parts of the Laplacian of electron
density in fuzzy overlap space. Many remarkable features of LBO are
exemplified by numerous structurally diverse molecules. It is shown
that LBO has a direct correlation with the bond polarity, the bond
dissociation energy, and the bond vibrational frequency. The dissociation
behavior of LBO of the N–N bond in N<sub>2</sub> has been studied.
Effects of the basis sets, theoretic methods, and geometrical conformations
on LBO have also been investigated. Through comparisons, we discussed
in details similarities and discrepancies among LBO, Mayer bond order,
natural localized molecular orbital bond order, fuzzy overlap population,
and electron density at bond critical points
A Facile All-Solution-Processed Surface with High Water Contact Angle and High Water Adhesive Force
A series
of sticky superhydrophobicity surfaces with high water
contact angle and high water adhesive force is facilely prepared via
an all-solution-processed method based on polymerization-induced phase
separation between liquid crystals (LCs) and epoxy resin, which produces
layers of epoxy microspheres (EMSs) with nanofolds on the surface
of a substrate. The morphologies and size distributions of EMSs are
confirmed by scanning electron microscopy. Results reveal that the
obtained EMS coated-surface exhibits high apparent contact angle of
152.0° and high water adhesive force up to 117.6 μN. By
varying the composition of the sample or preparing conditions, the
sizes of the produced EMSs can be artificially regulated and, thus,
control the wetting properties and water adhesive behaviors. Also,
the sticky superhydrophobic surface exhibits excellent chemical stability,
as well as long-term durability. Water droplet transportation experiments
further prove that the as-made surface can be effectively used as
a mechanical hand for water transportation applications. Based on
this, it is believed that the simple method proposed in this paper
will pave a new way for producing a sticky superhydrophobic surface
and obtain a wide range of use