Materials Literature
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Magnetotransport measurements of charge carriers at the interface of a LaAlO${}_{3}$/SrTiO${}_{3}$ heterostructure with 26 unit cells of LaAlO${}_{3}$ show Hall resistance and magnetoresistance which at low and high temperatures is described by a single channel of electronlike charge carriers. At intermediate temperat…
In this work, we report our results on the geometric and electronic properties of hybrid graphite-like structure made up of silicene and boron nitride (BN) layers. We predict from our calculations that this hybrid bulk system, with alternate layers of honeycomb silicene and BN, possesses physical properties similar to…
A bulk diluted magnetic semiconductor was found in the K and Mn co-doped BaCd2As2 system. Different from recently reported tetragonal ThCr2Si2-structured II-II-V based (Ba,K)(Zn,Mn)2As2, the Ba1−yKyCd2−xMnxAs2 system has a hexagonal CaAl2Si2-type structure with the Cd2As2 layer forming a honeycomb-like network. The Mn…
We report an extensive theoretical study of the protonated water dimer (Zundel ion) by means of the highly correlated variational Monte Carlo and lattice regularized Monte Carlo approaches. This system represents the simplest model for proton transfer (PT) and a correct description of its properties is essential in or…
Friction measurements in the range of several meters per second are still of great interests. With the atomic force microscopy (AFM), the oscilaltion situation of the quartz crystal resonators of 3MHz resonance frequency are studied. And the oscillation speed could reach up to several m/s. Then the friction measuremen…
In this work the intersubband electronic properties of two laterally coupled dome-shaped InAs/GaAs quantum dots were investigated. The envelope functions and eigenenergies were calculated as function of distance between the dots. The coupling between the dots was studied using transition lifetime between the dots. The…
Single junction Si solar cells dominate photovoltaics but are close to their efficiency limits. This paper presents ideal limiting efficiencies for tandem and triple junction multijunction solar cells subject only to the constraint of the Si bandgap and therefore recommending optimum cell structures departing from the…
In lithium ion batteries, Li+ intercalation and processes associated with passivation of electrodes are governed by applied voltages, which are in turn associated with free energy changes of Li+ transfer (Delta G_t) between the solid and liquid phases. Using ab initio molecular dynamics (AIMD) and thermodynamic integr…
The ability of liquid-crystal materials to self-assemble into different structures extends even to the defects in them. Ordered arrays of defect-induced structures are used in optical applications, such as microlenses. By inserting colloid particles---which behave as defects---into layered (smectic) liquid crystals to…
Colossal magnetoresistance (CMR) is associated with the phase transition from a metallic ferromagnetic to insulating paramagnetic phase, which can be controlled by an applied magnetic field. The insulating phase occurs due to trapping of the charge carriers by polaronic lattice distortions, which raise the resistivity…
As an emerging technology, forward osmosis (FO) has shown great promise in energy production from the mixing of fresh water and seawater in estuaries. However, the power density levels of the present commercial FO membranes hinder their practical applications in power generation due to the requirement for extremely la…
Surfaces with controlled oil wettability in water have great potential for numerous underwater applications. In this work, we report a smart surface with pH-responsive oil wettability. The surface shows superoleophilicity in acidic water and superoleophobicity in basic water. Reversible transition between the two stat…
Nanoporous NiO thin film electrodes were obtained via plasma-assisted microwave sintering and characterized by means of a combination of electrochemical techniques and X-ray photoelectron spectroscopy (XPS). The aim of this study is the elucidation of the nature of the surface changes introduced by the redox processes…
Using a one-dimensional model, we explore the ability of machine learning to approximate the non-interacting kinetic energy density functional of diatomics. This nonlinear interpolation between Kohn-Sham reference calculations can (i) accurately dissociate a diatomic, (ii) be systematically improved with increased ref…
Development of ecofriendly biocomposites to replace non-biodegradable synthetic fiber composites is the main objective of this study. To highlight the biocomposites as a perfect replacement, the plain woven jute fabric (WJF) reinforced poly( l -lactic acid) (PLLA) composites were prepared by the hot press molding meth…
Under ab initio computations, several new inorganic electride compounds with high stability, M@x-Al12N12 (M = Li, Na, and K; x = b66, b64, and r6), were achieved for the first time by doping the alkali metal atom M on the fullerene-like Al12N12 nanocage, where the alkali atom is located over the Al-N bond (b66/b64 sit…
A hierarchical high-performance electrode with nanoacanthine-style polyaniline (PANI) deposited onto a carbon nanofiber/graphene oxide (CNF/GO) template was successfully prepared via an in situ polymerization process. The morphology analysis shows that introducing one-dimensional (1D) CNF could significantly decrease/…
We present the first use of a waveform-dependent absorbing metasurface for high-power pulsed surface currents. The new type of nonlinear metasurface, composed of circuit elements including diodes, is capable of storing high-power pulse energy to dissipate it between pulses, while allowing propagation of small signals.…
We observe optical third-harmonic generation in atomically thin films of MoS2 and deduce effective third-order nonlinear susceptibilities on the order of 10(-19) m(2)/V(2), which is comparable to that of commonly used semiconductors under resonant conditions. By measuring the susceptibility as a function of light wave…
Superhydrophobic and superoleophilic graphene/polyvinylidene fluoride (G/PVDF) aerogels were prepared by solvothermal reduction of the graphene oxide and PVDF mixed dispersions. The chemical reduction of the graphene oxide component was verified by FT-IR, XRD, XPS, Raman spectroscopy and TGA. The as-prepared aerogel s…