Host: Defect: ID: DOI:

WS2

Ca

qdg-1445

Defect Details

Defect Type: Substitution

Charge: -1

Point Group: D3h

Charge Stability Range: 0.426

Spin Multiplicity: 2

Optical Properties

Excitation energy ΔKS (eV): 0.4159

Transition Dipole Moment (D): 4.6015

Electronic Structure

Electronic Structure

Formation Energy

Formation Energy
Transition Charge Transition Level
-1/0 1.2337
-1/-2 2.2113