Structural and electronic properties of fluorine-doped lithium oxide as a solid electrolyte interphase for lithium air batteries

Nilüfer Ertekin

Makale detayları

Structural and electronic properties of fluorine-doped lithium oxide as a solid electrolyte interphase for lithium air batteries

Yazarlar:

Nilüfer Ertekin

Yayıncı:

Kütahya Dumlupinar University

Ana Başlıklar:

Lasers and Quantum Electronics | Electrical Energy Storage | Energy

Dergi:

Journal of Scientific Reports-A Issue 055, pp.94-103

Belge Tipi:

Makale

Yayın Tarihi:

12/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001299689

pISSN:

2687-6167

Anahtar kelimeler:

Özet:

 In Lithium-Air Batteries LABs, the solid electrolyte interphase SEI layer plays a crucial role as a protective barrier and regulates the transport of lithium ions, preventing deterioration of the electrode and electrolyte during undesired reactions. The SEI layer acts as a barrier between the lithium anode and electrolyte, enhancing the stability and efficiency of LABs during chargedischarge cycles. In this study, the effectiveness of a composite SEI layer consisting of Li_2 O and LiF was investigated. The dynamical stability of this configuration was verified using Density Functional Theory and analysis of the phonon spectrum. The analysis of the electronic properties of the structure revealed a noteworthy decrease in the band gap. This decrease in the band gap is particularly significant as it contributes to the improved performance of lithium-air batteries. Furthermore, additional investigations were conducted to examine the effects of doping other halogen atoms and increasing the concentration of fluorine. However, these results revealed that the electronegativity differences between the atoms rendered such structures unstable, posing challenges in achieving stable configurations for practical applications.

 In Lithium-Air Batteries LABs, the solid electrolyte interphase SEI layer plays a crucial role as a protective barrier and regulates the transport of lithium ions, preventing deterioration of the electrode and electrolyte during undesired reactions. The SEI layer acts as a barrier between the lithium anode and electrolyte, enhancing the stability and efficiency of LABs during chargedischarge cycles. In this study, the effectiveness of a composite SEI layer consisting of Li_2 O and LiF was investigated. The dynamical stability of this configuration was verified using Density Functional Theory and analysis of the phonon spectrum. The analysis of the electronic properties of the structure revealed a noteworthy decrease in the band gap. This decrease in the band gap is particularly significant as it contributes to the improved performance of lithium-air batteries. Furthermore, additional investigations were conducted to examine the effects of doping other halogen atoms and increasing the concentration of fluorine. However, these results revealed that the electronegativity differences between the atoms rendered such structures unstable, posing challenges in achieving stable configurations for practical applications.

 In Lithium-Air Batteries LABs, the solid electrolyte interphase SEI layer plays a crucial role as a protective barrier and regulates the transport of lithium ions, preventing deterioration of the electrode and electrolyte during undesired reactions. The SEI layer acts as a barrier between the lithium anode and electrolyte, enhancing the stability and efficiency of LABs during chargedischarge cycles. In this study, the effectiveness of a composite SEI layer consisting of Li_2 O and LiF was investigated. The dynamical stability of this configuration was verified using Density Functional Theory and analysis of the phonon spectrum. The analysis of the electronic properties of the structure revealed a noteworthy decrease in the band gap. This decrease in the band gap is particularly significant as it contributes to the improved performance of lithium-air batteries. Furthermore, additional investigations were conducted to examine the effects of doping other halogen atoms and increasing the concentration of fluorine. However, these results revealed that the electronegativity differences between the atoms rendered such structures unstable, posing challenges in achieving stable configurations for practical applications.

 In Lithium-Air Batteries LABs, the solid electrolyte interphase SEI layer plays a crucial role as a protective barrier and regulates the transport of lithium ions, preventing deterioration of the electrode and electrolyte during undesired reactions. The SEI layer acts as a barrier between the lithium anode and electrolyte, enhancing the stability and efficiency of LABs during chargedischarge cycles. In this study, the effectiveness of a composite SEI layer consisting of Li_2 O and LiF was investigated. The dynamical stability of this configuration was verified using Density Functional Theory and analysis of the phonon spectrum. The analysis of the electronic properties of the structure revealed a noteworthy decrease in the band gap. This decrease in the band gap is particularly significant as it contributes to the improved performance of lithium-air batteries. Furthermore, additional investigations were conducted to examine the effects of doping other halogen atoms and increasing the concentration of fluorine. However, these results revealed that the electronegativity differences between the atoms rendered such structures unstable, posing challenges in achieving stable configurations for practical applications.

Makale detayları

Structural and electronic properties of fluorine-doped lithium oxide as a solid electrolyte interphase for lithium air batteries

Yazarlar:

Nilüfer Ertekin

Yayıncı:

Kütahya Dumlupinar University

Ana Başlıklar:

Lasers and Quantum Electronics | Electrical Energy Storage | Energy

Dergi:

Journal of Scientific Reports-A Issue 055, pp.94-103

Belge Tipi:

Makale

Yayın Tarihi:

12/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001299689

pISSN:

2687-6167

Lithium air batteries

Solid electrolyte interphase

Band gap

Phonon spectrum

Fluorine-doped lithium oxide

Sayı

Makale detayları

Structural and electronic properties of fluorine-doped lithium oxide as a solid electrolyte interphase for lithium air batteries

Yazarlar: Nilüfer Ertekin

Yayıncı: Kütahya Dumlupinar University

Ana Başlıklar: Lasers and Quantum Electronics | Electrical Energy Storage | Energy

Dergi: Journal of Scientific Reports-A Issue 055, pp.94-103

Belge Tipi: Makale

Yayın Tarihi: 12/2023

Belge Dili: İngilizce

Document ID (Org No.): 2001299689

pISSN: 2687-6167

Lithium air batteries

Solid electrolyte interphase

Band gap

Phonon spectrum

Fluorine-doped lithium oxide

Sayı

Yazarlar:

Nilüfer Ertekin

Yayıncı:

Kütahya Dumlupinar University

Ana Başlıklar:

Lasers and Quantum Electronics | Electrical Energy Storage | Energy

Dergi:

Journal of Scientific Reports-A Issue 055, pp.94-103

Belge Tipi:

Makale

Yayın Tarihi:

12/2023

Belge Dili:

İngilizce

Document ID (Org No.):

2001299689

pISSN:

2687-6167