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. |
Partial density of states for (a) Mn-, (b) Fe-, (c) Mg-, or (d) Bi-doping at one of the Ti sites. |