Phase Stability and Sodium-Vacancy Orderings in a NaSICON Electrode
Ziliang Wang, Sunkyu Park, Zeyu Deng, Dany Carlier, Jean-Noël Chotard, Laurence Croguennec, Gopalakrishnan Sai Gautam, Anthony K. Cheetham, Christian Masquelier… 展开作者
Ziliang Wang, Sunkyu Park, Zeyu Deng, Dany Carlier, Jean-Noël Chotard, Laurence Croguennec, Gopalakrishnan Sai Gautam, Anthony K. Cheetham, Christian Masquelier, Pieremanuele Canepa
我们阐明了钠（Na）嵌入钠超离子导体（NaSICON）型电极，Na $_x$ V $_2$（PO $_4$）$_3$的热力学，为有前途的高功率密度的钠离子电池。本文首次报道了NaSICON型电极Na $_x$ V $_2$（PO $_4$）$_3$的计算温度-组成相图。我们确定了两个化学稳定相的组成Na $_2$ V $_2$（PO $_4$）$_3$和Na $_{3.5}$ V $_2$（PO $_4$）$_3$，并首次描述了它们的结构特征基于我们的计算分析。我们揭示的晶体结构和电子结构的起源与特定的Na/空位的安排，这是由钒网站上的电荷排序驱动的基态组合物。这些结果对可持续发展的钠离子电池的高能量和功率密度电极的优化具有重要意义
英文摘要：
We elucidate the thermodynamics of sodium (Na) intercalation into the sodium super-ionic conductor (NaSICON)-type electrode, Na$_x$V$_2$(PO$_4$)$_3$, for promising Na-ion batteries with high-power density. This is the first report of a computational temperature-composition phase diagram of the NaSICON-type electrode Na$_x$V$_2$(PO$_4$)$_3$. We identify two thermodynamically stable phases at the compositions Na$_2$V$_2$(PO$_4$)$_3$ and Na$_{3.5}$V$_2$(PO$_4$)$_3$, and their structural features are described for the first time based on our computational analysis. We unveil the crystal-structure and the electronic-structure origins of the ground-state compositions associated with specific Na/vacancy arrangements, which are driven by charge orderings on the vanadium sites. These results are significant for the optimization of high-energy and power densities electrodes for sustainable Na-ion batteries
NASICON solid-electrolyte modification and analysis using ion and neutron beams
Nuclear Physics Institute (NPI) of the Czech Academy of Sciences（捷克科学院核物理研究所）；CNR-ITAE（意大利国家研究委员会应用技术研究学院）；University of Messina. Department of Engineering（墨西拿大学工程学院）；Charles University, Faculty of Mathematics and Physics（查理斯大学数学与物理学院）；Institute of Physics of the Czech Academy of Sciences（捷克科学院物理研究所）
Electrochemical performance and diffusion kinetics of a NASICON type Na$_{3.3}$Mn$_{1.2}$Ti$_{0.75}$Mo$_{0.05}$(PO$_4$)$_3$/C cathode for low-cost sodium-ion batteries
Synergetic Enhancement on Bulk and Grain Boundary Ionic Conduction of Mg Doped High-Entropy NASICON-Type Solid Electrolyte for Solid-State Na+ Batteries by Spray Flame Synthesis
Electrochemical and thermal control of continuous phase transitions in P2-NaxNi1/3Mn2/3O2
Stanford University（斯坦福大学）；Oak Ridge National Laboratory（橡树岭国家实验室）；SLAC National Accelerator Laboratory（SLAC国家加速器实验室）；University of California, Santa Barbara（加州大学圣塔芭芭拉分校）
