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![[Figure 1]](vb5049fig1mag.jpg)
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Figure 1
(Left and middle) Ball-and-stick models of bulk molybdenite MoS2-2H viewed along the (left) [110] and (middle) [001] directions. The black lines represent the hexagonal unit cell of the mineral. The S—Mo—S bond angle Θ, the interlayer distance dI and the z parameter (i.e. the atomic shift of sulfur with respect to molybdenum atoms, scaling with the length of the c axis) are reported. (Right) The electronic band structure of MoS2-2H, highlighting the indirect band gap (I, green line) and the excitonic K–K′ (used in experimental work) transitions 1 (from valence band v1 to conduction band c1, black line) and 2 (v2 → c1, blue line). |
![[Figure 1]](vb5049fig1.jpg)
 | JOURNAL OF APPLIED CRYSTALLOGRAPHY |
ISSN: 1600-5767
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