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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. An extraordinary low vacuum barrier height of 2.0 eV has been found on the zigzag-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 O terminated edge.
We investigated the vacuum potential barriers of various graphene edges terminated with hydrogen, oxygen, hydroxyl group and ether group, respectively. 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 1eV for the O terminated edge, while...
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