Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine

作者:Cook Peter L; Yang Wanli; Liu Xiaosong; Maria Garcia Lastra Juan; Rubio Angel; Himpsel F J*
来源:Journal of Chemical Physics, 2011, 134(20): 204707.
DOI:10.1063/1.3592937

摘要

Copper and zinc phthalocyanines and porphyrins are used in organic light emitting diodes and dye-sensitized solar cells. Using near edge x-ray absorption fine structure (NEXAFS) spectroscopy at the Cu 2p and Zn 2p edges, the unoccupied valence states at the Cu and Zn atoms are probed and decomposed into 3d and 4s contributions with the help of density functional calculations. A comparison with the N 1s edge provides the 2p states of the N atoms surrounding the metal, and a comparison with inverse photoemission provides a combined density of states.

  • 出版日期2011-5-28