Related papers: Charge transfer induced cubic gauche nitrogen from…
High electric conductivity ~100 MegaSiemens/m and Seebeck coefficient >200 mkV/K of carbon nanotubes (CNT) make them attractive for a variety of applications. Unfortunately, a high thermal conductivity ~ 3000 W/(m*K) due to the phonon…
Using first principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the…
Metal nitrides represent a large class of materials with extensive applications in optoelectronics, energy, and healthcare technologies. For example, GaN and related nitride semiconductors are key materials for solid-state lighting and…
We analyze electronic and phononic quantum transport through zigzag or chiral graphene nanoribbons (GNRs) perforated with an array of nanopores. Since local charge current profiles in these GNRs are peaked around their edges, drilling…
Charge transport in GaN quantum well (QW) devices grown in non-polar direction has been theoretically investigated . Emergence of anisotropic line charge scattering mechanism originating as a result of anisotropic rough surface morphology…
Electron transport studies for AlGaN/GaN two-dimensional electron gases is presented. Novel defects in the III-V nitrides are treated theoretically for two-dimensional transport. Theory of electron scattering by charged dislocation lines is…
Charged nitrogen dimers are ubiquitous in high-pressure binary metal-nitrogen systems. They are known to possess integer formal charges x varying from one through four. Here, we present the investigation of the binary alkali- and alkaline…
Building up a solid-state material from quantum dots (QD), which are often referred to as artificial atoms, offers the potential to create new materials with unprecedented macroscopic properties. The investigation of the electronic…
We report observation of more than an order of magnitude jump in saturation magnetization in BiFeO$_3$/Ag nanocomposite at room temperature compared to what is observed in bare BiFeO$_3$ nanoparticles. Using transmission electron microscopy…
High-purity cubic silicon carbide possesses the second-highest thermal conductivity among large-scale crystals, surpassed only by diamond, making it crucial for practical applications of thermal management. Recent theoretical studies…
The recent experimental realization of two-dimensional (2D) transition metal nitrides (TMNs, e.g., Mo5N6, {\delta}-MoN, and W5N6) opens new opportunities for exploring their fundamental physical properties at the two-dimensional limit. In…
Bottom-up on-surface synthesized nanoporous graphenes (NPGs), realized as 2D arrays of laterally covalently bonded $\pi$-conjugated graphene nanoribbons (GNRs), are a family of carbon nanomaterials that are receiving increasing attention…
Detailed structural and electrical properties of ultra-nano-crystalline diamond (UNCD) films grown in H$_\text{2}$/CH$_\text{4}$/N$_\text{2}$ plasma were systematically studied as a function of deposition temperature ($T_d$) and nitrogen…
The method for production of atomic chains by heating of graphene nanoribbons (GNRs) is proposed and studied by molecular dynamics simulations. The Brenner potential is revised to adequately describe formation of atomic chains, edges and…
The discovery of multiple charge-density-wave (CDW) orders in superconducting cuprates and Kagome CsV3Sb5 has offered a unique milieu for studying the interplay of CDW and superconductivity and altered our perspective on their nature. Here,…
Transition-metal chalcogenides host various phases of matter, such as charge-density wave (CDW), superconductors, and topological insulators or semimetals. Superconductivity and its competition with CDW in low-dimensional compounds have…
We present a novel heterostructured approach to disentangle the mechanism of electrical transport of the strongly correlated PrNiO3, by placing the nickelate under the photoconductor CdS. This enables the injection of carriers into PrNiO3…
We report the temperature-dependent (4.2 - 300 K) electron transport properties (current-voltage) of photo-switchable two-dimensional arrays of gold nanoparticles (10 nm in diameter) functionalized by azobenzene derivatives. Under UV-light…
The charge transport properties of individual, metallic nitrogen doped, single-walled carbon nanotubes are investigated. It is demonstrated that n-type conduction can be achieved by nitrogen doping. Evidence was obtained by appealing to…
Graphene quantum dots (GQD) are interesting materials due to the confined sizes which allow to exploit their optoelectronic properties, especially when they interface with organic molecules through physisorption. In particular, when…