논문 해외 국제전문학술지(SCI급) Lithium Alloying Potentials of Silicon as Anode of Lithium Secondary Batteries
- 학술지 구분 국제전문학술지(SCI급)
- 게재년월 2013-08
- 저자명 오민욱
- 학술지명 ASIAN JOURNAL OF CHEMISTRY
- 발행처명 ASIAN JOURNAL OF CHEMISTRY
- 발행국가 해외
- 논문언어 외국어
- 전체저자수 3
홈페이지논문 초록 (Abstract)
Using first principles density functional theory, formation energies of lithium silicides were calculated. The formation of lithium silicides such as Li1Si1, Li12Si7, Li2Si1, Li7Si2, Li15Si4 and Li22Si5 were energetically favourable with potential decreasing. Li15Si4 calculated to be more stable than Li7Si2. Differences of Si-Si bond distances between 2.383 angstrom of Li3.5Si as relatively good reversible range and 4.548 angstrom of Li3.75Si as relatively low reversibility can be correlated to reversible lithiation range. Silicon is not only electron semi-conductor but also not good lithium ion conductor. Therefore during lithiation(delithiation) silicon has multi-level lithiated silicides to show broad and complicated XRD pattern.