Table 1. Calculated Enthalpy of Formation Per Formula Unit of Bi2WO6 and the Possible Limiting Phases by HSE06 Calculationa.
| compound | ΔHf (eV) | experiment |
|---|---|---|
| Bi2WO6 | –14.98 | –11.5273 |
| Bi2O3 | –5.86 | –5.9576 |
| WO2 | –5.75 | –6.1176 |
| WO3 | –8.32 | –8.7476 |
| CO | –0.71 | –1.1476 |
| CO2 | –3.91 | –4.0876 |
| P2O5 | –14.38 | |
| SO2 | –3.06 | –3.0876 |
| SO3 | –4.13 | |
| Bi2S3 | –1.78 | –1.4876 |
| WC | –0.41 | |
| N2O5 | –0.42 | –0.4576 |
Experimental values at 298 K are provided for comparison (unit: eV).