Host: Defect: ID: DOI:

WS2

Zr

qdg-1428

Defect Details

Defect Type: Substitution

Charge: -1

Point Group: D3h

Charge Stability Range: 0.434

Spin Multiplicity: 2

Optical Properties

Excitation energy ΔKS (eV): 0.538

Transition Dipole Moment (D): 10.0303

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
0/-1 1.034
-2/-1 2.029