737 research outputs found
Synthesis and structural characterization of some cathode materials for lithium-ion batteries
Lithium-ion batteries are under intense scrutiny as alternative energy/power sources. Their electrochemistry is based on intercalation/deintercalation reactions of lithium ions within a crystal structure of an electrode material. Therefore, the structure itself determines both the electrode operating voltage and the transport pathways for lithium ions. Some oxide- and polyanion-based materials are synthesized and studied as positive electrodes. Several synthetic routes were investigated. The crystal structure refinement of an X-ray powder diffraction data was based on the Rietveld full profile method. All relevant structural and microstructural crystal parameters that could be significant for electrochemical intercalation/deintercalation processes were determined. Structural analysis revealed different dimensionality of lithium ion motion. It was also shown that the structural and microstructural properties are significantly dependent on the synthesis condition
HORTENSIA, a program package for the simulation of nonadiabatic autoionization dynamics in molecules
We present a program package for the simulation of ultrafast
vibration-induced autoionization dynamics in molecular anions in the manifold
of the adiabatic anionic states and the discretized ionization continuum. This
program, called HORTENSIA (\underline{Ho}pping \underline{r}eal-time
\underline{t}rajectories for \underline{e}lectron-ejection by
\underline{n}onadiabatic \underline{s}elf-\underline{i}onization in
\underline{a}nions), is based on the nonadiabatic surface-hopping methodology,
wherein nuclei are propagated as an ensemble along classical trajectories in
the quantum-mechanical potential created by the electronic density of the
molecular system. The electronic Schr\"odinger equation is numerically
integrated along the trajectory, providing the time evolution of electronic
state coefficients, from which switching probabilities into discrete electronic
states are determined. In the case of a discretized continuum state, this
hopping event is interpreted as the ejection on an electron. The derived
diabatic and nonadiabatic couplings in the time-dependent electronic
Schr\"odinger equation are calculated from anionic and neutral wavefunctions
obtained from quantum chemical calculations with commercially available program
packages interfaced with our program.
Based on this methodology, we demonstrate the simulation of autoionization
electron kinetic energy spectra that are both time- and angle-resolved. In
addition, the program yields data that can be interpreted easily with respect
to geometric characteristics such as bonding distances and angles, which
facilitates the detection of molecular configurations important for the
autoionization process.
Moreover, useful extensions are included, namely generation tools for initial
conditions and input files as well as for the evaluation of output files both
through console commands and a graphical user interface
Electrochemical properties of LiFePO4/C composites obtained by ultrasound assisted synthesis at different calcination temperatures
Olivine structure LiFePO4/C composite powders were prepared by combining sonochemical precipitation and calcination at three different temperatures. A polyvinyl alcohol solution was used as the source of an in situ formed carbon. The crystal structures of the powders were revealed by X-ray powder diffraction. Electrochemical properties of the powders calcined at different temperatures were discussed. It was shown that optimal electrochemical performance may be attained by using both slightly reductive atmosphere and moderate temperature of 600 °C.Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 24-28 September 200
Preparation and Characterization of Poly-l-lactide Microspheres
Poster presented at the International Workshop and Summer School Cell and Tissue Engineering, Faculty of Technology and Metallurgy, University of Belgrade, July 1-8, 2006
Sonochemical Preparation of Hydroxyapatite/Poly (lactide-co-glycolyde) Composite
Poster presented at the 9th Conference of the Yugoslav Materials Research Society - YUCOMAT 2007, Herceg Novi, Crna Gora, September 10-14, 2007
Action game development in Unity
Izrada akcijske igre nalik DOOM-u, te upoznavanje sa enginom u kojem će se izrađivati. Detaljan opis Unitya i svih njegovih alata. Uspoređivanje engina s konkurencijom. Upoznavanje sa logikom izrade First Person Shooter-a, te općenite logike izrade igrica.
Prilog radu se nalazi na: https://drive.google.com/open?id=1Y--fSEfNgrUZ0D5sT96ikL1YT4p97R-
Structural and optical properties of semiconducting nanomaterials: europium doped gadolinium zirconate and yttrium vanadate, cadmium teluride and ruthenium modified zinc - oxide
У овој докторској дисертацији представљена је синтеза, као и структурна и оптичка карактеризација четири репрезентативна прeдставника полупроводничких наноматеријала на бази халкогенида: гадолинијум – цирконата, хемијске формуле Gd2Zr2O7 и итријум – ванадата, YVO4, допираних јонима еуропијума, кадмијум телурида, CdTe, и цинк – оксида, ZnO, модификованог рутенијумовим комплексима. За синтезу ова четири материјала коришћена су четири метода синтезе: метод сагоревања гела, за припрему Gd2Zr2O7, метод сагоревања гела и синтеза реакцијом у чврстој фази, за припрему YVO4, метод високовакуумског напаравања за припрему CdTe и преципитациони метод за припрему ZnO...In this doctoral disseration, synthesis, as well as structural and optical properties of four chalcogenide semiconducting nanomaterials representatives were presented: europium doped gadolinium – zirconate, with chemical formula Gd2Zr2O7 and yttrhrium – vanadate, YVO4, cadmium – telluride, CdTe, and ruthenium modified zinc – oxide , ZnO. For synthesis of these four materials four methods were used: solution combustion synthesis for Gd2Zr2O7, solution combustion synthesis and classical ceramics method for YVO4, thermal evaporation method for CdTe and precipitation method for ZnO..
Sonochemical Preparation of Hydroxyapatite/Poly (lactide-co-glycolyde) Composite
Poster presented at the 9th Conference of the Yugoslav Materials Research Society - YUCOMAT 2007, Herceg Novi, Crna Gora, September 10-14, 2007
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