Resonant charge transfer in the interaction of hyperthermal anions with a technical graphite-like conducting surface

[Display omitted] •Anions S- and SH- are neutralized on the graphite surface, while Br- and Cl- are not.•The induced charge on the surface stabilizes the HOMO of the anion.•If the HOMO is located in the conduction band of surface, then anion is neutralized.•Semi-classical orbital mechanism explains...

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Veröffentlicht in:Chemical physics letters 2022-06, Vol.797, p.139583, Article 139583
Hauptverfasser: Tseplin, Evgeniy E., Tseplina, Svetlana N., Lukin, Vladimir G., Khvostenko, Olga G.
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Sprache:eng
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Zusammenfassung:[Display omitted] •Anions S- and SH- are neutralized on the graphite surface, while Br- and Cl- are not.•The induced charge on the surface stabilizes the HOMO of the anion.•If the HOMO is located in the conduction band of surface, then anion is neutralized.•Semi-classical orbital mechanism explains evolution of hyperthermal anions on surface. It was found that when the hyperthermal anions Br-, S- and SH- interact with the cleaned surface of soot, the intensity of the ion yield curves (IYC) of fragmentary anions S- and SH- decreases, while Br- does not. Based on the DFT calculations and the use of the induced charge model, it was shown that HOMO of the S- and SH- anions is located in the energy range of the conduction band of graphite, which allows an additional electron to tunnel from these anions to the surface and this leads to their neutralization.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2022.139583