Host: Defect: ID: DOI:

WS2

Hg

qdg-1295

Defect Details

Defect Type: Substitution

Charge: -1

Point Group: D3h

Charge Stability Range: 0.31

Spin Multiplicity: 2

Optical Properties

Excitation energy ΔKS (eV): 0.4819

Transition Dipole Moment (D): 4.2058

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
-1/0 1.5815
-1/-2 2.6357