Research Article
Polymethine Dye as Sensors of NH3 and CO
Table 3
The binding energy of the NH3 and CO molecules in the associate with the PMD molecule (position 2).
| PMD molecule | Binding energy of the NH3, eV | Binding energy of the CO, eV |
| PMD-I | 0.33 | 0.14 | PMD-II | 0.32 | 0.13 | PMD-III | 0.34 | 0.14 | PMD-IV | 0.35 | 0.14 | PMD-V | 0.23 | 0.09 | PMD-VI | 0.23 | 0.11 | PMD-VII | 0.23 | 0.11 | PMD-VIII | 0.24 | 0.11 |
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