Localised quantum states of atomic and molecular particles physisorbed on carbon-based nanoparticles

The vibrational states of atomic and molecular particles adsorbed on long linear nanographenes are described using reliable theoretical potentials and appropriate vibrational (lateral) Hamiltonians. Although they rigorously obey the Bloch theorem only for infinite nanographenes, the energy patterns...

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Veröffentlicht in:The Journal of chemical physics 2014-09, Vol.141 (11), p.114702-114702
Hauptverfasser: Kaprálová-Žďánská, Petra Ruth, Trachta, Michal, Bludský, Ota, Špirko, Vladimír
Format: Artikel
Sprache:eng
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Zusammenfassung:The vibrational states of atomic and molecular particles adsorbed on long linear nanographenes are described using reliable theoretical potentials and appropriate vibrational (lateral) Hamiltonians. Although they rigorously obey the Bloch theorem only for infinite nanographenes, the energy patterns of the probed states closely resemble the usual Bloch bands and gaps. In addition, for any finite nanographene, these patterns are enriched by the presence of "solitary" energy levels and the "resonance" structure of the bands. While typical band states are profoundly delocalised due to a fast tunneling of the adsorbed particle, the "solitary" and "resonance" states exhibit strong localisation, similar to the behaviour of the states of the Wannier-Stark ladders in optical and semiconductor superlattices.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4894412