The exchange-correlation potential correction to the vacuum potential barrier of graphene edge

The exchange-correlation potential correction to the vacuum potential barrier of graphene edge

We investigated the vacuum potential barriers of various graphene edges. It is found that the exchange-correlation potential correction is significant to the edge structures with electronegativity higher than carbon. The correction leads to the local work function decreased by more than 1 eV for the...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Weiliang Wang, Junwen Shao, Zhibing Li
Format: Tagungsbericht
Sprache:eng
Schlagworte:
Educational institutions
Electric potential
Elementary particle vacuum
exchange-correlation potential
graphene
IEEE Potentials
Laboratories
local work function
Potential energy
Sun
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Beschreibung
Zusammenfassung:We investigated the vacuum potential barriers of various graphene edges. It is found that the exchange-correlation potential correction is significant to the edge structures with electronegativity higher than carbon. The correction leads to the local work function decreased by more than 1 eV for the O terminated edge.
DOI:10.1109/IVESC.2012.6264182