MoS2 – Molybdenum disulfide – Transition Metal Dichalcogenide (TMD)

Experimental Properties Table

Crystal Structure

a1	3.19 Å
a2	3.19 Å
d1	2.41 Å
d2	4.00 Å

Bandstructure

	PBE	HSE
Valence Band Maximum	-5.84 eV	-6.33 eV
Conduction Band Minimum	-4.25 eV	-4.18 eV
Band Gap	1.59 eV	2.15 eV