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) (a) Average Mo–Li distances and adsorption energies of per Li atom for different Li coverage (Θ = 0.25, Θ = 0.50, Θ = 0.75, and Θ = 1.) in monolayer MoS₂; (b) the variation of the atomic geometries and energies as one Li atom moving in the direction of the arrow in full Li coverage monolayer MoS₂.