论文标题
Li4-XGE1-XPXO4全氧化物微生物的潜在固态电解质
Li4-xGe1-xPxO4 a potential solid-state electrolyte for all-oxide microbatteries
论文作者
论文摘要
锂离子电池的固态电解质正在吸引日益增长的兴趣,因为它们允许使用锂金属阳极的更安全的电池。在这里,我们研究了锂超电子导体(Lisicon)家族中的一个化合物,即Li4-XGE1-XPXO4(LGPO)。通过脉冲激光沉积沉积薄膜,并将其电性能与陶瓷颗粒进行比较。微结构的详细表征表明,薄膜可以在较高的温度下完全结晶,但在室温下也部分无定形。电导率不受晶界的存在,暴露于空气或锂缺陷的强烈影响。使用第一原理分子动力学模拟来计算理想LGPO晶体的各种温度下的锂离子扩散谱和电导率。模拟给出了无缺陷晶体的电导率上限,该晶体在300度时在10-2 s cm-1的范围内。薄膜制造的便捷性,室温的锂离子电导率在几个micros cm-1的范围内使LGPO成为薄膜全溶剂全氧化物全氧化物微生物的非常吸引人的电解质材料。
Solid-state electrolytes for Li-ion batteries are attracting growing interest as they allow building safer batteries, also using lithium metal anodes. Here we studied a compound in the lithium superionic conductor (LISICON) family, i.e. Li4-xGe1-xPxO4 (LGPO). Thin films were deposited via pulsed laser deposition and their electrical properties were compared with ceramic pellets. A detailed characterization of the micro structure shows that thin films can be deposited fully crystalline at higher temperatures but also partially amorphous at room temperature. The conductivity is not strongly influenced by the presence of grain boundaries, exposure to air or lithium deficiencies. First-principles molecular dynamics simulations were employed to calculate the lithium ion diffusion profile and the conductivity at various temperatures of the ideal LGPO crystal. Simulations gives the upper limit of conductivity for a defect free crystal, which is in the range of 10-2 S cm-1 at 300 deg. The ease of thin film fabrication, the room-temperature Li-ion conductivity in the range of a few microS cm-1 make LGPO a very appealing electrolyte material for thin film all-solid-state all-oxide microbatteries.