Host: Defect: ID: DOI:

WS2

Zr

qdg-1429

Defect Details

Defect Type: Substitution

Charge: -2

Point Group: D3h

Charge Stability Range: 0.115

Spin Multiplicity: 1

Optical Properties

Excitation energy ΔKS (eV): 1.586

Transition Dipole Moment (D): 0.0923

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
-2/-1 2.029