Host: Defect: ID: DOI:

WS2

Zr

qdg-1079

Defect Details

Defect Type: Substitution

Charge: 1

Point Group: Cs

Charge Stability Range: 0.214

Spin Multiplicity: 2

Optical Properties

Excitation energy ΔKS (eV): 0.7421

Transition Dipole Moment (D): 4.4034

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
1/2 -0.4155
1/0 0.4914