从材料结构特征到功能特征——
From material structural feature to the functional feature
从材料结构特征到功能特征—— |
| 赵悠曼, 黄旸, 熊立, 林海军 |
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From material structural feature to the functional feature |
| Youman ZHAO, Yang HUANG, Li XIONG, Haijun LIN |
| 图1 (a), (b) LZPS的晶体结构示意图 (LiS4 、ZnS4 、PS4 以及间隙位四面体分别用深绿色、蓝色、青色以及粉色表示，硫阴离子用黄色圆球表示；(c)为图 (b) 中红色虚线框标识部分结构的放大图 (其表示了锂离子跳跃到邻近间隙位的局域结构环境); (d) 用NEB计算得到的锂离子在图 (c) 所示的局域结构中的迁移路径 |
| Fig. 1 (a), (b) The unit cell of LZPS viewed from different directions. The LiS4, ZnS4, PS4 and interstitial site are colored by dark green, blue, cyan and pastel orange. The sulfur is labeled with yellow spheres. (c) The local environment involving the lithium hopping in the LZPS structure which is extracted from the red box in (b). (d) The diffusion path in the octahedral cage determined by NEB calculation |
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