Fig.5 | Scientific Reports

Fig.5

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

Fig.5

[Upper Panel] (a–e) The corresponding adsorption energies (E\(_{ads}\)) of one H\(_{2}\)S molecule placed on four different adsorption sites on the sides of stacked BBL chains, namely, close to oxygen-lean (E\(^\prime\)) and oxygen-rich (F) side of benzene and oxygen-rich (G) and oxygen-lean (H) side of naphthalene, and oxygen-lean side of imidazole ring (E), respectively, along with the geometries. [Lower Panel] (f–j) The corresponding E\(_{ads}\) of one NH\(_{3}\) molecule placed on four different adsorption sites on the sides of stacked BBL chains, namely, close to oxygen-lean (E\(^\prime\)) and oxygen-rich (F) side of benzene and oxygen-rich (G) and oxygen-lean (H) side of naphthalene, and oxygen-lean side of imidazole ring (E), respectively, along with the geometries (top view).

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