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Beilstein J. Nanotechnol. 2022, 13, 160–171, doi:10.3762/bjnano.13.11
Figure 1: The illustration of atomic structures of 1T′ and 2H TMD. Purple: Mo or W; green: S or Se. The red f...
Figure 2: Partial DOS of the Mo 4d or W 5d states (red line), S 3p and Se 4p states (blue line) of 1T′ TMDs.
Figure 3: Calculated -pCOHP of long and short TM-X bonds in 1T′ MoS2, MoSe2, WS2 and WSe2 crystals with the c...
Figure 4: Calculated mechanical properties of 1T′ MoS2, MoSe2, WS2 and WSe2 crystals including (A) the elasti...
Figure 5: (a) Total and partial DOS and band structure of MoS2 in its 1T′ and 2H polytypes. (b) Calculated -p...