X-ray Spectroscopic Study of the Conduction Band of K3:Anthracene and K3:Phenanthrene
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- 作者：Amy L. Pitman ; John A. Mcleod ; Elaheh Khozeimeh Sarbisheh ; Ernst Kurmaev ; Jens M眉ller ; Alexander Moewes
- 刊名：Journal of Physical Chemistry C
- 出版年：2013
- 出版时间：September 26, 2013
- 年：2013
- 卷：117
- 期：38
- 页码：19616-19621
- 全文大小：332K
- 年卷期：v.117,no.38(September 26, 2013)
- ISSN：1932-7455
文摘
We study anthracene and phenanthrene doped with potassium using X-ray absorption spectroscopy and electronic structure calculations. In addition, a comparison of molecular orbital calculations and solid state density functional theory calculations are presented. We find that potassium-doping partially populates the LUMO level of anthrancene and phenanthrene and that both the measured and calculated electronic structures of the doped systems are quite different from that of the pristine molecular systems. This suggests that the extra charge carriers in the doped system are responsible for the increased conductivity and greater intermolecular interaction. Finally, our calculations suggest that both K<sub>3sub>:phenanthrene and K<sub>3sub>:anthracene have reduced or nonexistent band gaps as compared to their pure counterparts, further supporting the conclusion that doping is responsible for increased conductivity.