Table 2 Binding energy of Al- or P-doped WS2 with CO2 or H2O gas adsorption on the energetically favorable site
From: Sensing Behavior of Two Dimensional Al- and P-Doped WS2 Toward NO, NO2, and SO2: an Ab Initio Study
Substrate | Gas | Binding energy (eV) | Substrate | Gas | Binding energy (eV) |
|---|---|---|---|---|---|
Al-WS2 | CO2 | − 0.19 | P-WS2 | CO2 | − 0.18 |
H2O | − 1.69 | H2O | − 0.27 |