Thermal transport in phase-stabilized lithium zirconate phosphates
Thermal transport in phase-stabilized lithium zirconate phosphates
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DOI：
10.1063/5.0013716
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发表时间：
2020-07
影响因子：
4
通讯作者：
Sajad Yazdani;Raana Kashfi-Sadabad;M. D. Morales-Acosta;R. D. Montaño;Tuoc N. Vu;H. Tran;Menghan Zhou-Men
中科院分区：
文献类型：
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作者：
Sajad Yazdani;Raana Kashfi-Sadabad;M. D. Morales-Acosta;R. D. Montaño;Tuoc N. Vu;H. Tran;Menghan Zhou-Men
钇稳定的磷酸锆酸锂[LZP：Li 1 +x+ yYxZr 2 −x（PO 4）3，x = 0.15，−0.2 ≤ y ≤ 0.4和x = 0.0，y = 0.0]在30 ~ 973 K的宽温度范围内的热性质，阐明了固态超离子导电材料中结构相变和热性质之间的相互作用。在室温下，随着化学计量从锂不足变为过量，热导率降低超过75%，并且随着温度的升高而增加，这表明火花等离子体烧结材料中的缺陷介导的传输。通过X射线衍射和差示扫描量热法检查的相变和它们的稳定性，并表明，Y 3+取代Zr 4+是有效的稳定的离子导电菱面体相在整个温度范围内测量，其机制是通过从头计算理论计算发现。LZP超离子导体的热传输的这些见解是有价值的，因为它们通常可用于预测未来全固态电池装置的陶瓷电解质中的材料稳定性和热管理。
The thermal properties of yttrium-stabilized lithium zirconate phosphate [LZP: Li1+x+yYxZr2−x(PO4)3 with x = 0.15, −0.2 ≤ y ≤ 0.4 and with x = 0.0, y = 0.0] are presented over a wide temperature range from 30 to 973 K, elucidating the interplay between structural phase transformations and thermal properties in a solid state superionic conducting material. At room temperature, the thermal conductivity decreases by more than 75% as the stoichiometry is changed from lithium deficient to excess and increases with increasing temperature, indicative of defect-mediated transport in the spark plasma sintered materials. The phase transformations and their stabilities are examined by x-ray diffraction and differential scanning calorimetry and indicate that the Y3+ substitution of Zr4+ is effective in stabilizing the ionically conductive rhombohedral phase over the entire temperature range measured, the mechanism of which is found through ab initio theoretical calculations. These insights into thermal transport of LZP superionic conductors are valuable as they may be generally applicable for predicting material stability and thermal management in the ceramic electrolyte of future all-solid-state-battery devices.