种子原子 meaning in Chinese

seed atom

In the paper , li5mn4o83 + li5mn12o24 - , li5mn16o32 + , li17mn16o329 + clusters selected by " seed atoms " were calculated theoretically by means of the quantum chemical dv - xa calculation method . form the angle of electronic structure , the status of lithium ion and the electrochemical properties of lixmn2o4 were discussed preliminarily according to different conditions ( x = l , 2 ) . based on calculation results , it ' s found that the jahn - teller distortion , which was thought to lead to poor cyclability , occurred during the discharge of lixmn204 , and we also confirmed the formation of a novel phase with low energy after overdischarge ( x = 2 )
为了从微观上认识锰系正极材料的结构和电化学性能之间的关系，本文提出了采用量子化学离散变分x (方法，对结合“种子原子法”选取的li5mn4o83 + 、 li5mn12o24 - 、 li5mn16o32 + 、 li17mn16o329 +等锰系正极材料的原子团簇进行了理论计算，从电子结构上初步探讨了锂离子嵌入正极材料后的存在形式以及锂离子的嵌入对电极材料电化学性能的影响，同时还从结构上对锂离子电池的循环性能和容量进行了初步的讨论。