Congratulations to Dr. Yulong Sun’s paper for being accepted by the international authoritative journal "Journal of the American Chemical Society"! The topic of the thesis is "Rotational Cluster Anion Enabling Superionic Conductivity in Sodium-Rich Antiperovskite Na3OBH4".

Sodium superionic conductor is the key to developing all-solid sodium batteries with high safety factor and low cost. Among the sodium superionic conductors that have been developed, anti-perovskite-type ion conductors have received extensive attention due to their higher structural tolerance and better formability. Recently, Professor Xie Jia of Huazhong University of Science and Technology and Researcher Jiang Hong of Peking University (co-corresponding author) team published an article entitled "Rotational Cluster Anion Enabling Superionic Conductivity in Sodium-Rich Antiperovskite Na3OBH4" in the Journal of the American Chemical Society. . The author used Na2O and NaBH4 for solid state reaction and successfully synthesized Na3OBH4 with cubic inverse perovskite structure. The ionic conductivity of Na3OBH4 at room temperature is 4.4 × 10−3S cm−1, and the ion migration activation energy is 0.25 eV. It is worth mentioning that compared with the existing anti-perovskite system Na3OX (X = Cl, Br, I), the ion conductivity is four orders of magnitude higher. This increase is not only due to the special cubic anti-calcium of Na3OBH4 The crystal structure of titanium ore is also due to the rotation of the BH4 anion group. Density functional theory calculations show that BH4 anion has a very low rotation barrier, and BH4 rotation significantly reduces the Na ion migration barrier. This work has deepened the understanding of solid electrolytes with inverse perovskite structure and clarified the importance of anion groups in superionic conductors.

https://pubs.acs.org.ccindex.cn/doi/10.1021/jacs.9b01746