Computational screening of doping schemes for LiTi2(PO4)3 as cathode coating materials Project supported by the National Natural Science Foundation of China (Grant No. 51772321), and the National Key R&D Program of China (Grant No. 2017YFB0701602), and the Youth Innovation Promotion Association, China (Grant No. 2016005). The Shanghai Supercomputer Center provided the computing resources. |
Crystal cell of LTP. The green, blue, purple, red, and yellow balls represent Li, Ti, P, O1, and O2 sites, respectively. |