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Figure 3
(a), (c) Band structures and densities of states (total and projected on the Mo and S atoms) of molybdenite (a) monolayer MoS2-1L and (c) bilayer MoS2-2L. (b), (d) Orbital-level details of the density of states, showing the contributions of the 3s (purple line) and 3p (green line) states of sulfur and of the 5s (red line) and 4d (blue line) states of molybdenum to the total density of states (DOS, black line) of (b) monolayer MoS2-1L and (d) bilayer MoS2-2L.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 56| Part 3| June 2023| Pages 611-623
https://doi.org/10.1107/S1600576723002571
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