We use first-principles density functional theory based calculations to determine the stability and properties of silicene, a graphene-like structure made from silicon, and explore the possibilities of modifying its structure and properties through incorporation of transition metal ions (M: Ti, Nb, Ta, Cr, Mo and W) in its lattice, forming MSi(2). While pure silicene is stable in a distorted honeycomb lattice structure obtained by opposite out-of-plane displacements of the two Si sub-lattices, its electronic structure still exhibits linear dispersion with the Dirac conical feature similar to graphene. We show that incorporation of transition metal ions in its lattice results in a rich set of properties with a clear dependence on the structural changes, and that CrSi(2) forms a two-dimensional magnet exhibiting a strong piezomagnetic coupling.
An
easily scalable fabrication method has been explored to obtain
atomically thin gallium telluride (GaTe), which opens up new prospective
applications of this well-known material. Due to nanostructuring,
the optical and electrochemical properties of 2D GaTe at room temperature
see remarkable improvements. The effects of surface defects on the
optical properties have also been demonstrated. The performance of
atomically thin GaTe as a supercapacitor is investigated. It shows
a significantly high specific capacitance, 14 F g–1 (without additive/composite forms). As a function of cycling, exfoliated
GaTe exhibits ∼96% charge retention (10 000 cycles),
confirming high material stability. H/H2 adsorption studies
using density functional theory (DFT) calculations show that the defects
in 2D GaTe impart the desired properties. Hence, 2D GaTe is useful
in storage device applications and also as a stable electrode material.
DFT simulations were also used to gain insights into the semiconducting
behavior of the material, which can be utilized to tune the electrochemical
and optical properties.
Two-dimensional (2D) materials have been shown to be efficient in energy harvesting. Here, we report the use of waste heat to generate electricity via the combined piezoelectric and triboelectric properties...
Simple, fast, and
sensitive molecularly imprinted composite thin-film-based
electrochemical sensor developed by using in situ co-electropolymerization
of aniline and acrylic acid in the presence of melamine as a template
is described here. The prepolymerization complex formation was studied
by using Fourier transform infrared (FTIR) spectrophotometry, while
the film formation was performed and characterized by cyclic voltammetry,
Fourier transform infrared (FTIR), and scanning electron microscopy
(SEM). The optimization of important parameters and removal of melamine
generated the binding sites in the polymer matrix, which can recognize
melamine specifically. Electrochemical measurements were performed
to achieve the linear range, the limit of quantification, and limit
of detection of 0.1–180, 0.0573, and 0.0172 nM, respectively.
The sensitivity of the sensor was attributed to the synergistic effects
of amine from aniline and the carboxylic group from acrylic acid to
form multiple noncovalent interactions with the template. Melamine-spiked
infant formula and raw milk were analyzed by the developed sensor,
and the recovery range of 95.87–105.63% with a relative standard
deviation of 1.11–2.23% was obtained. The results showed that
the developed sensor using the new composite polymer receptor is promising
for the online monitoring of melamine in the food industries in the
future.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.