Host: Defect: ID: DOI:

WS2

Zr

qdg-1427

Defect Details

Defect Type: Substitution

Charge: 0

Point Group: D3h

Charge Stability Range: 0.451

Spin Multiplicity: 1

Optical Properties

Excitation energy ΔKS (eV): 0.4006

Transition Dipole Moment (D): 13.9465

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
0/-1 1.034