Abstract
An isolated individual molecule clearly has only one ionization energy. For ordered molecular assemblies, however, multiple values have been found depending on the orientation of the molecules relative to a supporting substrate. This intriguing observation is rationalized here for the prototypical molecule pentacene, in terms of intrinsic “surface dipoles” built into the molecules, which collectively give rise to the orientation dependence of the molecular ionization energy.
Keywords
- Density Functional Theory Calculation
- Molecular Orientation
- Orientation Dependence
- Organic Thin Film
- Intrigue Observation
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Heimel, G., Koch, N. (2009). Molecular Orientation Dependence of the Ionization Energy of Pentacene in Thin Films. In: Al-Shamery, K., Horowitz, G., Sitter, H., Rubahn, HG. (eds) Interface Controlled Organic Thin Films. Springer Proceedings in Physics, vol 129. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-95930-4_23
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DOI: https://doi.org/10.1007/978-3-540-95930-4_23
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