First-principles study of high performance lithium/sodium storage of Ti3C2<italic>T</italic>2 nanosheets as electrode materials<xref rid="cpb_29_1_016802fn1" ref-type="fn">*</xref><fn id="cpb_29_1_016802fn1"><label>*</label>Project supported by the National Natural Science Foundation of China (Grant Nos. 51772069 and 51772070).</fn>

First-principles study of high performance lithium/sodium storage of Ti₃C₂T₂ nanosheets as electrode materials**

Project supported by the National Natural Science Foundation of China (Grant Nos. 51772069 and 51772070).

Bai Li-Na¹, Kong Ling-Ying¹, Wen Jing¹, Ma Ning², Gao Hong¹, Zhang Xi-Tian^{1, 3, †}

Twelve stable configurations of (a) Ti₃C₂Li₂ and Ti₃C₂T₂Li₂, (b) Ti₃C₂Na₂ and Ti₃C₂T₂Na₂ systems with the c-axis lattice constant of 25.04 Å, and (c) Ti₃C₂Li₄ and Ti₃C₂T₂Li₄, (d) Ti₃C₂Na₄ and Ti₃C₂T₂Na₄ systems with the c-axis lattice constant of 35.04 Å. Note: h_totave = h_ave(top) +h_ave(bottom), where h_ave(top) and h_ave(bottom) are the average vertical height from the upper or lower layers of Li/Na atoms to the corresponding surface layer of Ti(1) atoms.