Fig. 4 | Scientific Reports

Fig. 4

From: Exploring an n-type conducting polymer (BBL) as a potential gas sensing material for NH3 and H2S detection

Fig. 4

[Upper Panel] (a–d) The corresponding adsorption energies (E\(_{ads}\)) of one H\(_{2}\)S molecule when adsorbed on four different adsorption sites on top of a BBL trimer, namely, benzene, naphthalene, pyridine, imidazole, respectively, along with the geometries. [Lower Panel] (e–h) The corresponding E\(_{ads}\) of one NH\(_{3}\) molecule when adsorbed on four different adsorption sites on a BBL trimer, namely, benzene, naphthalene, pyridine, imidazole, respectively, along with the respective geometries (top view).

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