论文标题
固态电池玻璃超级离子导体计算研究的进度，挑战和观点
Progress, challenges and perspectives of computational studies on glassy superionic conductors for solid-state batteries
论文作者
论文摘要
基于硫化物的玻璃和玻璃陶瓷表现出高离子电导率和出色的机械性能被认为是有希望的固态电解质。如今，具有低研究成本的优势的计算材料技术已被广泛用于理解，有效地筛选和发现电池材料。考虑到在玻璃型SSE材料上的计算研究的重要性和贡献的上升，这项工作总结了用于研究无机无机材料的常见计算方法，回顾了锂和硫化钠型玻璃杯的计算机调查的最新进展，用于固定电池，以及我们的固态电池，以及我们的认识和挑战，这是我们的认识和挑战。这篇评论将促进并加速未来的计算筛选，并为固态电池发现更多玻璃状状态SSE材料。
Sulfide-based glasses and glass-ceramics showing high ionic conductivities and excellent mechanical properties are considered as promising solid-state electrolytes. Nowadays, the computational material techniques with the advantage of low research cost are being widely utilized for understanding, effectively screening and discovering of battery materials. In consideration of the rising importance and contributions of computational studying on the glassy SSE materials, here, this work summarizes the common computational methods utilized for studying the amorphous inorganic materials, review the recent progress in computational investigations of the lithium and sodium sulfide-type glasses for solid-state batteries, and outlines our understandings of the challenges and future perspective on them. This review would facilitate and accelerate the future computational screening and discovering more glassy-state SSE materials for the solid-state batteries.
