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1 article(s) from Wen, William

Theoretical understanding of electronic and mechanical properties of 1T′ transition metal dichalcogenide crystals

Seyedeh Alieh Kazemi,
Sadegh Imani Yengejeh,
Vei Wang,
William Wen and
Yun Wang

Beilstein J. Nanotechnol. 2022, 13, 160–171, doi:10.3762/bjnano.13.11

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Figure 1: The illustration of atomic structures of 1T′ and 2H TMD. Purple: Mo or W; green: S or Se. The red f...

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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.

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Figure 3: Calculated -pCOHP of long and short TM-X bonds in 1T′ MoS₂, MoSe₂, WS₂ and WSe₂ crystals with the c...

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Figure 4: Calculated mechanical properties of 1T′ MoS₂, MoSe₂, WS₂ and WSe₂ crystals including (A) the elasti...

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Figure 5: (a) Total and partial DOS and band structure of MoS₂ in its 1T′ and 2H polytypes. (b) Calculated -p...

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Published 02 Feb 2022

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