Li adsorption on monolayer and bilayer MoS<sub>2</sub> as an ideal substrate for hydrogen storage<xref rid="cpb_27_6_066103_fn1" ref-type="fn">*</xref> <fn id="cpb_27_6_066103_fn1"> <label>*</label> <p>Project supported by the National Key Basic Research Program of China (Grant No. 2012CB932304), the National Natural Science Foundation of China (Grant No. 21763007), the Innovation Team Foundation of the Education Department of Guizhou Province, China (Grant No. [2014]35), and the Key Laboratory of Low Dimensional Condensed Matter Physics of Higher Educational Institution of Guizhou Province, China (Grant No. [2016]002).</p> </fn>

Li adsorption on monolayer and bilayer MoS₂ as an ideal substrate for hydrogen storage* *

Project supported by the National Key Basic Research Program of China (Grant No. 2012CB932304), the National Natural Science Foundation of China (Grant No. 21763007), the Innovation Team Foundation of the Education Department of Guizhou Province, China (Grant No. [2014]35), and the Key Laboratory of Low Dimensional Condensed Matter Physics of Higher Educational Institution of Guizhou Province, China (Grant No. [2016]002).

Zhang Cheng^{1, 2}, Tang Shaolong^{2, †}, Deng Mingsen^{3, ‡}, Du Youwei²

(color online) Top and side view of typical atomic structures of monolayer (a) MoS₂ and (b) bilayer MoS₂, the Mo and S atoms are represented by olive and yellow spheres, respectively; (c) band structures of monolayer MoS₂ and bilayer MoS₂, direct band occurs at the K point in monolayer MoS₂, and indirect band transition occurs between the valence band maximum at Γ point and the conduction band minimum at K point in bilayer MoS₂.