Materials Literature
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The moderate band gap of black phosphorus (BP) in the range of 0.3-2 eV, along a high mobility of a few hundred cm(2) V(-1) s(-1) provides a bridge between the gapless graphene and relatively low-mobility transition metal dichalcogenides. Here, we study the mechanism of electrical and thermoelectric transport in 10-30…
A CuO/CeO 2 catalyst with 4 wt % CuO nominal content has been prepared by solution combustion synthesis (SCS) and characterized by ICP-MS, BET surface area analysis, XPS, HRTEM, and H 2, and/or CO TPR. The catalyst, showing a rather homogeneous distribution of copper that strongly interacts with ceria, has been tested…
Hybrid multi-functional nanomaterials comprising two or more disparate materials have become a powerful approach to obtain advanced materials for environmental remediation applications. In this work, an Ag-Ag2O/TiO2@polypyrrole (Ag/TiO2@PPy) heterojunction has been synthesized by assembling a self-stabilized Ag-Ag2O (…
We analyze the interplay between superconductivity and the formation of bound pairs of fermions (BCS-BEC crossover) in a 2D model of interacting fermions with small Fermi energy ${E}_{F}$ and weak attractive interaction, which extends to energies well above ${E}_{F}$. The 2D case is special because a two-particle boun…
Organic electrochemical transistors (OECTs) are used as highly sensitive glucose and lactate sensors by modifying the gate electrode with glucose oxidase/lactate oxidase and poly(n‐vinyl‐2‐pyrrolidone)‐capped platinum nanoparticles (Pt NPs). The Pt NPs are deposited by using a two‐step dip coating method without bias…
The van der Waals (vdW) force dominated interface between graphene and polymer matrix creates weak points in the mechanical sense. Chemical functionalization was expected to be an effective approach in transfer of the outstanding performance of graphene across multiple length scales up to the macroscopic level, due to…
Semiconductor-metal hybrid nanoparticles manifest efficient light-induced spatial charge separation at the semiconductor-metal interface, as demonstrated by their use for hydrogen generation via water splitting. Here, we pioneer a study of their functionality as efficient photocatalysts for the formation of reactive o…
We report the thermoelectric properties of polycrystalline samples of Ca3Pb1−xBixO (x = 0, 0.1, 0.2) and Ca3SnO, both crystallizing in a cubic antiperovskite-type structure. The Ca3SnO sample shows metallic resistivity and its thermoelectric power approaches 100 μV K−1 at room temperature, resulting in the thermoelect…
The scaling of neutral atoms to large $Z$, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of ene…
Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum-mechanical theory of dislocation remains undiscovered for decades. Here we present an exactly solvable quantum field theory of dislocation, f…
A new method of probing mechanical losses and comparing the corresponding deposition processes of metallic and dielectric coatings in 1-100 MHz frequency range and cryogenic temperatures is presented. The method is based on the use of extremely high-quality quartz acoustic cavities whose internal losses are orders of…
Topologically protected magnetic structures such as skyrmions and domain walls (DWs) have drawn a great deal of attention recently due to their thermal stability and potential for manipulation by spin current, which is the result of chiral magnetic configurations induced by the interfacial Dzyaloshinskii-Moriya Intera…
We present the first-principles studies on the hydrostatic pressure effect of the electronic properties of black phosphorus. We show that the energy bands crossover around the critical pressure ${P}_{c}=1.23$ GPa; with increasing pressure, the band reversal occurs at the $Z$ point and evolves into 4 twofold-degenerate…
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the quasiparticle band structure of a number of such compounds being almost gapless semi…
Relying on generalized-gradient and hybrid first-principles simulations, this work provides a complete characterization of the electronic properties of ZnO ultrathin films, cut along the body-centered-tetragonal(010), cubane(100), hexagonal boron nitride(0001), zinc-blende(110), and wurtzite ($10\overline{1}0$) and (0…
Nickel-based superalloys play a major role in many technologically relevant high temperature applications. Understanding and predicting the evolution of the phase microstructure during high temperature creep together with the evolution of the dislocation microstructure is a challenge that up to date has not yet been f…
Spinodal decomposition process in the system of immiscible PbTe/CdTe compounds is analyzed as an example of a self-organizing structure. The immiscibility of the constituents leads to the observed morphological transformations like anisotropy driven formation of quantum dots and nanowires, and to the phase separation…
The existence and feasibility of the multicaloric, polycrystalline material 0.8Pb(Fe1/2Nb1/2)O3-0.2Pb(Mg1/2W1/2)O3, exhibiting magnetocaloric and electrocaloric properties, are demonstrated. Both the electrocaloric and magnetocaloric effects are observed over a broad temperature range below room temperature. The maxim…
We present an investigation of the thermoelectric properties of cubic perovskite SrTiO3. The results are derived from a combination of calculated transport functions obtained from Boltzmann transport theory in the constant scattering time approximation based on the electronic structure and existing experimental data f…
We study the helical edge states of a two-dimensional topological insulator without axial spin symmetry due to the Rashba spin-orbit interaction. Lack of axial spin symmetry can lead to so-called generic helical edge states, which have energy-dependent spin orientation. This opens the possibility of inelastic backscat…