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Chemiczne metody modyfikacji materiałów elektrodowych przeznaczonych do ogniw litowo-jonowych

Hamankiewicz B., Boczar M., Krajewski M., Ratyński M., Ziółkowska D., Czerwiński A.

Przegląd Elektrotechniczny

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2018

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R. 94, nr 8

25--28

PL

Rozwój technologii elektrochemicznych ogniw litowo-jonowych jest jednym z kluczowych problemów, wymagających intensywnych badań. Baterie litowo-jonowe przewyższają inne typy układów elektrochemicznych pod względem pojemności właściwej, dostępnej mocy, odporności na kolejne cykle ładowania-rozładowania i z tego względu są idealnymi systemami do zastosowania w urządzeniach mobilnych oraz pojazdach elektrycznych. Niestety, przy obecnej technologii wytwarzania komercyjnych baterii litowo-jonowych ciągle są to urządzenia drogie i przy nieprawidłowym użytkowaniu mogące spowodować zagrożenie dla zdrowia. W artykule przedstawiono spektrum chemicznych metod modyfikacji materiałów elektrodowych oraz ich wpływ na prace ogniw litowo-jonowych.

EN

The development of new technologies for lithium-ion cells is one of a key problems that require intensive research. Lithium-ion batteries outperform other types of electrochemical systems in terms of specific capacity, available power, cycle life and therefore they are ideal systems for mobile devices and electric vehicles. Unfortunately, with the current technology of producing commercial batteries lithium-ion cells are still expensive and may cause health risks when improperly used. The article presents the spectrum of chemical methods for the modification of electrode materials and their impact on the lithium-ion battery performance.

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Theoretical and Spectroscopic Study of Infrared Spectra of Hydrogen-Bonded 2,4-Dithiouracil Crystal and Its Deuterated Derivative

Kwiendacz J., Boczar M., Boda Ł., Wójcik M. J.

Polish Journal of Chemistry

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2009

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Vol. 83, nr 5

895-915

EN

Theoretical simulation of the bandshape and fine structure of the N–H(D) stretching bands is presented for 2,4-dithiouracil and its deuterated derivative taking into account an harmonic coupling between the high-frequency N–H(D) stretching and the low-frequency NźźźS stretch ingvibrations, resonance interaction between two equivalent hydro gen bonds in the dimer, anharmonicity of the potentials for the low-frequency vibrations in the ground and excited state of the N–H(D) stretching mode, Fermi resonance between the N–H(D) stretching and the first over tone of the N–H(D) bending vibrations, and electrical anharmonicity. The effect of deuteration has been successfully reproduced by our model calculations. In fra red, far-in fra red, Raman and low-frequency Raman spectra of the polycrystalline 2,4-dithiouracil have been recorded. The geometry and experimental frequencies are compared with the results of harmonic and an harmonic DFT calculations.

3

Theoretical simulation of the infrared spectrum of salicylaldehyde

Boczar M., Wójcik M. J., Szczeponek K., Jamróz D., Ikeda S.

Bulletin of the Polish Academy of Sciences. Chemistry

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2002

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Vol. 50, No. 1

11-14

EN

Theoretical simulation of the v(s) stretching band is presented for salicylalde-hyde taking into account an adiabatic coupling between the high-frequency O-H stretching and the low-frequency intramolecular O...O stretching modes, linear and quadratic distortions of the potential energy for the low-frequency vibration in the excited state of the O-H stretching vibration and resonance interaction between the O-H and the C-H stretching vibrations in the hydrogen-bonded ring.

4

Theoretical simulation of infrared spectra of acetylsalicylic acid

Boczar M., Wójcik M. J., Szczeponek K., Jamróz D., Zięba A.

Bulletin of the Polish Academy of Sciences. Chemistry

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2002

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Vol. 50, No. 4

397-402

EN

Theoretical simulation of the v(s) stretching band is presented for acetylsalicylic acid (aspirin) at two temperatures 77 and 300 K. The simulation takes into account adiabatic couplings between the high-frequency O-H stretching and the low-frequency intermolecular O...O stretching modes, linear and quadratic distortions of the potential energy of the low-frequency vibrations in the excited state of the O-H stretching vibration, resonance interaction between the two hydrogen bonds in a dimer, and Fermi resonance between the O-H stretching and the overtone of the O-H bending vibrations.