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Discovery of new boron-rich chalcogenides: orthorhombic B6X (X=S, Se)
(Scientific Reports, 2020)
New boron-rich sulfde B6S and selenide B6Se have been discovered by combination of high pressure
– high temperature synthesis and ab initio evolutionary crystal structure prediction, and studied by
synchrotron X-ray ...
Distinctive features of diffusion-controlled radiation defect recombination in stoichiometric magnesium aluminate spinel single crystals and transparent polycrystalline ceramics
(2020)
MgAl2O4 spinel is important optical material for harsh radiation environment and other important applications. The kinetics of thermal annealing of the basic electron (F, F+) and hole (V) centers in stoichiometric MgAl2O4 ...
Differently substituted benzonitriles for non-doped OLEDs
(Elsevier Ltd, 2020)
Towards highly efficient doping-free organic light-emitting diodes, five benzonitrile-based emitters with different substitution pattern were designed exploiting symmetrical donor-acceptor-donor and asymmetrical ...
Methoxycarbazolyl-disubstituted dibenzofuranes as holes- and electrons-transporting hosts for phosphorescent and TADF-based OLEDs
(Elsevier Ltd, 2020)
In the search of universal host materials for organic light emitting diodes a new series of bipolar host materials containing methoxy-substituted carbazoles as the electron-donating and dibenzofuran as an electron-accepting ...
Portable low-cost open-source wireless spectrophotometer for fast and reliable measurements
(Elsevier Ltd, 2020)
We demonstrate a low-cost standalone portable spectrophotometer for fast and reliable measurement execution. The data acquired can be both displayed via a dedicated smartphone application or a computer interface, allowing ...
The effect of heat treatment on the morphology and mobility of Au nanoparticles
(Beilstein-Institut Zur Forderung der Chemischen Wissenschaften, 2020)
In the present paper, we investigate the effect of heat treatment on the geometry and mobility of Au nanoparticles (NPs) on a Si substrate. Chemically synthesized Au NPs of diameter ranging from 5 to 27 nm were annealed ...
Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: The effect of the supercell size
(Elsevier B.V., 2020)
Scandium fluoride (ScF3) belongs to a class of negative thermal expansion (NTE) materials. It shows a strong lattice contraction up to about 1000 K switching to expansion at higher temperatures. Here the NTE effect in ScF3 ...
First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystals
(Royal Society of Chemistry, 2020)
First principles Density Functional Theory (DFT) hybrid functional PBESOL0 calculations of the atomic and electronic structure of perfect CsPbI3, CsPbBr3 and CsPbCl3 crystals, as well as defective CsPbI3 and CsPbBr3 crystals ...
Luminescence and vacuum ultraviolet excitation spectroscopy of cerium doped Gd3Ga3Al2O12 single crystalline scintillators under synchrotron radiation excitations
(Elsevier B.V., 2020)
Cerium doped Gd3Ga3Al2O12 (GGAG) single crystals as well as GGAG:Ce single crystals co-doped by divalent (Mg2+, Ca2+), trivalent (Sc3+) or tetravalent (Zr4+, Ti4+) ions have been studied by means of the excitation luminescence ...
First principles calculations of oxygen reduction reaction at fuel cell cathodes
(Elsevier B.V., 2020)
The efficiency of solid oxide fuel cells (SOFC) depends critically on materials, in particular for the cathode where the oxygen reduction reaction (ORR) occurs. Typically, mixed conducting perovskite ABO3-type materials ...