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Structural and electronic properties of β-NaYF4 and β-NaYF4:Ce3+
(Elsevier B.V., 2020)
In this work, the density functional theory approach with linear combination of atomic orbitals (LCAO) as implemented in the CRYSTAL17 computer code is applied to hexagonal β-NaYF4, located in three possible space groups ...
Recombination luminescence of X-ray induced paramagnetic defects in BaY2F8
(Elsevier B.V.Journal of Luminescence, 2020)
Recombination luminescence (RL) and RL-detected electron paramagnetic resonance (RL-EPR) in BaY2F8 single crystal has been investigated after irradiation with X-rays at low temperature. The recombination process, which ...
Matching the Directions of Electric Fields from Triboelectric and Ferroelectric Charges in Nanogenerator Devices for Boosted Performance
(Elsevier Inc., 2020)
Embedding additional ferroelectric dipoles in contacting polymer layers is known to enhance the performance of triboelectricnanogenerator (TENG) devices. However, the influence of dipoles formed between the triboelectric ...
Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics
(Elsevier Ltd, 2020)
Cubic copper nitride (Cu3N) has anti-perovskite structure, and its properties are strongly affected by anisotropic thermal vibrations of copper atoms. Ab initio molecular dynamics (AIMD) simulations were performed in the ...
Influence of Nb-doping on the local structure and thermoelectric properties of transparent TiO2:Nb thin films
(Elsevier Ltd, 2020)
Transparent n-type niobium-doped titanium dioxide thin films (TiO2:1.5 at.%Nb) with pronounced thermoelectric properties were produced from a composite Ti:Nb target by reactive magnetron sputtering. The thin films were ...
Flexible diphenylsulfone versus rigid dibenzothiophene-dioxide as acceptor moieties in donor-acceptor-donor TADF emitters for highly efficient OLEDs
(Elsevier B.V., 2020)
Flexible versus rigid molecular structures of donor-acceptor-donor type compounds are investigated with respect to efficiency of thermally activated delayed fluorescence (TADF) by theoretical and experimental approaches. ...
Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach
(Elsevier Ltd., 2020)
The contribution of static and thermal disorder is one of the largest challenges for the accurate determination of the atomic structure from the extended X-ray absorption fine structure (EXAFS). Although there are a number ...
Origin of Kerr effect: investigation of solutions by polarization dependent Z-scan
(Optical Society of America, 2020)
The nonlinear refractive index dependence on the incident light polarization state has been studied for pure chloroform and chloroform solutions of aminobenziliden-1,3-indandione derivatives. Measurements were done with ...
Recent progress in high-pressure X-ray absorption spectroscopy studies at the ODE beamline
(Taylor and Francis Ltd., 2020)
High pressure energy-dispersive X-ray absorption spectroscopy is a valuable structural technique, especially, when combined with a nano-polycrystalline diamond anvil cell. Here we present recent results obtained using the ...
On the Way to Optoionics
(Wiley Blackwell, 2020)
Based on the recent finding of significant ion conduction enhancement in iodide perovskites upon illumination, the potential of an emerging field ‘opto-ionics’ – that we define in parallelism to ‘opto-electronics’ – is ...