Discovery and design of lithium battery materials via high-throughput modeling<xref rid="cpb_27_12_128801_fn1" ref-type="fn">*</xref><fn id="cpb_27_12_128801_fn1"><label>*</label><p>Project supported by the National Natural Science Foundation of China (Grant No. 51772321), the Beijing Science and Technology Project (Grant No. D171100005517001), the National Key Research and Development Plan (Grant No. 2017YFB0701602), and the Youth Innovation Promotion Association (Grant No. 2016005).</p></fn>

Discovery and design of lithium battery materials via high-throughput modeling**

Project supported by the National Natural Science Foundation of China (Grant No. 51772321), the Beijing Science and Technology Project (Grant No. D171100005517001), the National Key Research and Development Plan (Grant No. 2017YFB0701602), and the Youth Innovation Promotion Association (Grant No. 2016005).

Wang Xuelong^{1, 2}, Xiao Ruijuan^{1, †}, Li Hong¹, Chen Liquan¹

(color online) (a) HT screening for the doping strategy of β-Li₃PS₄ by the combination of DFT and bond-valence calculations; (b) Calculated Li⁺ migration energy barriers for Sb-, Zn-, Al-, Ga-, Si-, Ge-, Sn-doped P-site and O-doped S-site.^[42]