atom n. 1.原子。 2.微粒;微量。 chemical atoms 原子。 physical atoms 分子。 have [there is] not an atom of 一点也没有。 break to atoms 粉碎 (The vase was broken to atoms. 花瓶敲得粉碎)。
seed n. (pl. seed(s)) 1.〔集合词〕【植物;植物学】种;种子。 2.颗粒;晶粒。 3.〔pl. 通例 seed〕 【生理】精液;鱼精;鱼卵;蚝(等的)卵。 4.子孙;苗裔;后裔;种族。 5.〔pl. 通例 seeds〕萌芽;根本;根源。 6.(玻璃中的)气泡。 the seeds of disease 病因;病根。 go [run] to seed 1. 花谢结子。 2. 消瘦;失去活力;衰颓[落];〔美国〕成为废料。 in seed 1. 在结实[结子]时期。 2. 播着种的。 raise up seed 繁殖子嗣。 vi. 1.播种。 2.结实;结出种子;成熟;脱籽。 vt. 1.播(种);去…的核;脱…的籽;弄去…的种子。 2.催促发育[成长];催化;催促加速。 3.用种子花样装饰;把…做成点花底子。 4.【运】从(运动员)中挑选种子选手。 seeding stage 出苗期。 seeding time 播种期。 seed down 撒种;播种。 seed the draw 【运】安排种子选手分布在各组出场。
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。