Електрохімічні дослідження і квантовохімічні розрахунки системи SinLim

Effective (but impracticable in the industrial lithium-ion batteries) ways to improve the cycling parameters of Si-electrodes are high end charge potentials or high charge rates, i.e. reducing the time spent at low electrode potentials vs. Li+/Li0. These methods are widely used in academic researche...

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Збережено в:
Бібліографічні деталі
Дата:2011
Автори: Kuksenko, S. P., Kuts, V. S., Tarasenko, Yu. А., Kartel, M. T.
Формат: Стаття
Мова:Російська
Опубліковано: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2011
Онлайн доступ:https://www.cpts.com.ua/index.php/cpts/article/view/92
Теги: Додати тег
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Назва журналу:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface
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Резюме:Effective (but impracticable in the industrial lithium-ion batteries) ways to improve the cycling parameters of Si-electrodes are high end charge potentials or high charge rates, i.e. reducing the time spent at low electrode potentials vs. Li+/Li0. These methods are widely used in academic researches without regard to the practical applicability of the results. We have shown experimentally that by suppressing the crystallization of a-SiLix in Si4Li15 and by stimulating formation of amorphous or nanostructured states of lithium – silicon alloys one can significantly improve the electrochemical parameters of silicon electrodes of lithium-ion batteries in cycling mode usually applied to real batteries. Peculiarities of the behavior of electrochemical system Si/Li have been substantiated by the results of quantum-chemical calculations of cluster models for SinLim alloy as dependent on the Si : Li ratio. Thus, the spatial and electronic structure of nanoclusters Sin (n = 2–16) and SinLim (n = 4, 8, 12, 16; m = 2–54) have been examined theoretically.