Host: Defect: ID: DOI:

WS2

Zr

qdg-1076

Defect Details

Defect Type: Substitution

Charge: 0

Point Group: C3v

Charge Stability Range: 0.786

Spin Multiplicity: 1

Optical Properties

Excitation energy ΔKS (eV): 1.8673

Transition Dipole Moment (D): 6.0051

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
1/0 0.4914