Incommensurate Quantum Size Oscillations of Oligoacene Wires Adsorbed on Au(111)
(2019) The Journal of Physical Chemistry C — Vol. 123, n° 14, p. 8902-8907 (2019)
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- Authors
Korytár, Richard 
- Abstract
- Acenes have attracted interest for a long time partly because of their electronic structure and partly because they are expected to show interesting correlation effects. For the isolated molecules, our recent theoretical work suggests a possibility for oscillations of the excitation gaps with the length of the molecule. In view of the recent experimental progress of on-surface synthesis, we employ the density functional theory to investigate here the fate of these oscillations for oligoacenes adsorbed on a Au(111) surface. We show that the surface perturbs the oligoacene gaps seen in isolation only weakly, implying that incommensurate oscillations survive. Effects beyond the density functional description (correlations, charging effects) are discussed.
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Citations
van Setten, M., Xenioti, D., Alouani, M., Evers, F., & Korytár, R. (2019). Incommensurate Quantum Size Oscillations of Oligoacene Wires Adsorbed on Au(111). The Journal of Physical Chemistry C, 123(14), 8902-8907. https://doi.org/10.1021/acs.jpcc.8b12213 (Original work published 2019)