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The Influence of Boron Doping Concentration on MgH_{2} Electronic Structure

100%
Kurko S., Paskaš-Mamula B., Matović L., Grbović Novaković J., Novaković N.
Acta Physica Polonica A
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2011
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vol. 120
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issue 2
238-241
EN
We have performed ab initio electronic structure calculations of Mg_{1-x}B_{x}H_{2} compounds with different boron concentrations, ranging from x =0.0625 to 0.5. Full structural relaxation was performed in order to properly describe influence of dopant on host matrix. Results showed that there is a strong influence of boron concentration on structural and thermodynamic stability of compound. B-H bond length is substantially shorter then in Mg-H coordination polyhedron. Boron significantly contributes to density of states at Fermi level within energy gap. The width of boron electronic states heavily depends on boron concentration, causing reduction of energy gap of host MgH_{2}, and leading to metallic nature of compound with highest boron concentration. The predicted thermodynamic instability of compounds with higher boron concentration is in agreement with experimental findings that under similar stoichiometry, boron with magnesium forms only complex hydride, Mg(BH_{4})_{2}. It is also shown that existence of stable hydrides with MgH_{2} rutile structure and small concentration of boron is possible in principle and that boron can be used to further destabilize MgH_{2} in order to enhance its hydrogen sorption-desorption kinetics.
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Electrical Conductivity, Viscosity and Thermal Properties of TEGDME-Based Composite Electrolytes for Lithium-Air Batteries

88%
Kartal M., Alp A., Akbulut H.
Acta Physica Polonica A
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2016
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vol. 129
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issue 4
816-818
EN
Some important properties of the electrolytes used in Li-air batteries were investigated. Electrolyte composed of a solution of 1 M LiPF₆ in tetra ethylene glycol dimethyl ether (TEGDME) was reinforced with SiO₂, Al₂O₃, poly(ethylene) oxide (PEO) and tris (pentafluorophenyl) borane (TPFPB) additives. The effects of these reinforcements on conductivity, viscosity and thermal stability were investigated. Electrical conductivity tests were carried out using a multiparameter meter. Viscosity tests were performed in a viscometer using tuning-fork vibration method. Thermal stability of the electrolytes was tested by both TG and DSC.
3
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The Effect of Inorganic Nano Powder Additives in TEGDME for Lithium Air Batteries

88%
Kartal M., Uysal M., Cetinkaya T., Alp A., Akbulut H.
Acta Physica Polonica A
|
2015
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vol. 127
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issue 4
1016-1018
EN
SiO₂ and Al₂O₃ nano fillers were added to an electrolyte composed of a solution 1 M LiPF₆ in tetra ethylene glycol dimethyl ether (TEGDME) and the effects of these nano powders on capacity and cycling performances were investigated. Galvanostatic charge/discharge (GC) measurements were performed in the assembled Li-air cells by using the nanocomposite electrolytes. The discharge capacities of these cells were cyclically tested by a battery tester at a constant current in the voltage range between 2.15 V and 4.25 V. Discharge products of nanocomposite electrolytes were characterized by SEM and XRD spectroscopies. The electrochemical results demonstrated that Al₂O₃ reinforced electrolyte showed higher discharge capacity and cyclability than those of SiO₂ reinforced electrolyte.
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