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Plasmonic nanomaterials offer a direct and effective approach to harnessing solar energy. Specifically, plasmonic semiconductors enable a highly efficient light-to-heat conversion process, outperforming noble metals in stability,…
The chemical ordering, electrical, optical, and magnetic properties of $Na_{0.5}Bi_{0.5}TiO_{3}$ (NBT) and 25$\%$ dysprosium doped NBT (DyNBT) were investigated in the framework of first-principles calculations using the full potential…
Type-I clathrates with a cage structure are known to be of importance for thermoelectric applications as the cage can be filled with a guest atom which leads to reduced thermal conductivity. Among the type-I clathrates, Si-based alloys are…
This study aims to evaluate the optoelectronic properties of metal free porphyrin-based D-$\pi$-A dyes via in-silico performance investigation notifying energy informatics and decision support. To develop novel organic dyes, three…
We investigate the effects of transition metals (TM) on the electronic doping and scattering in graphene using molecular beam epitaxy combined with in situ transport measurements. The room temperature deposition of TM onto graphene produces…
We present a systematic study of the influence of the encapsulation temperature on dopant confinement and electrical properties of Ge:P delta-doped layers. For increasing growth temperature we observe an enhancement of the electrical…
The ratiometric approach is the most commonly employed readout technique in luminescence thermometry. To address the trade-off between the risk of measurement disturbance in thermometers with high spectral separation of emission bands (due…
Electro-optic properties of dynamic scattering in homeotropically aligned pure and dichroic dye-doped nematic liquid crystal samples are examined. The optical properties of the two systems are quantified using transmission properties of…
The structure, dynamics and stability of Fe-Pt nanoparticles have been investigated using DFT-based techniques: total energy calculations and DFT molecular dynamics. The investigated systems included multi-shell and disordered nanoparticles…
Doped films of organic small molecules are investigated with respect to their thermoelectric properties. A variety of hosts and dopants, for both n and p-doping, are compared. C$_{60}$ n-doped by Cr$_2$(hpp)$_4$ or o-MeO-DMBI-I are found to…
Devices based on deep-blue emitting iridium (III) complexes with N-heterocyclic carbene (NHC) ligands have recently been shown to give excellent performance as phosphorescent organic light-emitting diodes (PHOLEDs). To facilitate the design…
We assess the local symmetry and crystal environment of trivalent terbium ions embedded in an indium tin oxide (ITO) matrix with bixbyite structure. The \mbox{Tb$^{3+}$} ions tend to substitute \mbox{In$^{3+}$} ions in two different…
This study presents a computational investigation of X4H15 compounds (where X represents a metal) as potential superconductors at ambient conditions or under pressure. Through systematic density functional theory calculations and…
The complex phenomenology of shot quenched YBa2Cu3O6.5 with Tc=100K and 200K levels is compared with laser pulsed analogs with an eye on explaining the presumed Tc=552K of the latter. Shot quenching can produce metastable states with…
A review of electronic properties of insulating-, boron- and phosphorus-doped diamond is given. The main goal is, to show data in a wider context, to reveal trends and limitations with respect to carrier mobilities, conductivities, p- and…
We used low-temperature synchrotron x-ray diffraction to investigate the structural phase transitions of Fe1+yTe in the vicinity of a tricitical point in the phase diagram. Detailed analysis of the powder diffraction patterns and…
First single crystal fibers of cerium doped strontium yttrate are fabricated using the laser-heated pedestal growth technique. Through thermodynamic equilibrium calculations and by high-temperature mass spectrometry suitable growth…
Photothermal conversion (PTC) nanostructures have great potential for applications in many fields, and therefore, they have attracted tremendous attention. However, the construction of a PTC nanoreactor with multi-compartment structure to…
Atomic layers of black phosphorus (P) isolated from its layered bulk make a new two-dimensional (2D) semiconducting crystal with sizable direct bandgap, high carrier mobility, and promises for 2D electronics and optoelectronics. However,…
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