Host: Defect: ID: DOI:

WS2

Zr

qdg-1077

Defect Details

Defect Type: Substitution

Charge: 6

Point Group: C1

Charge Stability Range: 0

Spin Multiplicity: 1

Optical Properties

Excitation energy ΔKS (eV): 0.2086

Transition Dipole Moment (D): 11.8158

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level