MoSe2 – Molybdenum diselenide – Transition Metal Dichalcogenide (TMD)

Experimental Properties Table

Crystal Structure

a1	3.32 Å
a2	3.32 Å
d1	2.54 Å
d2	4.18 Å

Bandstructure

	PBE	HSE
Valence Band Maximum	-5.13 eV	-5.54 eV
Conduction Band Minimum	-3.79 eV	-3.67 eV
Band Gap	1.34 eV	1.87 eV