Host: Defect: ID: DOI:

WS2

Hf

qdg-1423

Defect Details

Defect Type: Substitution

Charge: -1

Point Group: D3h

Charge Stability Range: 0.431

Spin Multiplicity: 2

Optical Properties

Excitation energy ΔKS (eV): 0.5239

Transition Dipole Moment (D): 10.056

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
0/-1 1.0536
-2/-1 2.0415