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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| Date: | 2011 |
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| Main Authors: | , , , |
| Format: | Article |
| Language: | Russian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2011
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| Online Access: | https://www.cpts.com.ua/index.php/cpts/article/view/92 |
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| Journal Title: | Chemistry, Physics and Technology of Surface |
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Chemistry, Physics and Technology of Surface| Summary: | 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. |
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