Unoccupied electronic states in an organic semiconductor probed with x-ray spectroscopy and first-principles calculations

被引：15

作者：

Molodtsova, Olga V. ^{[1
]}

Knupfer, Martin ^{[1
]}

Maslyuk, Volodymyr V. ^{[2
]}

Vyalikh, Denis V. ^{[3
]}

Zhilin, Victor M. ^{[4
]}

Ossipyan, Yurii A. ^{[4
]}

Bredow, Thomas ^{[5
]}

Mertig, Ingrid ^{[2
]}

Aristov, Victor Yu. ^{[1
,4
]}

机构：

[1] IFW Dresden, D-01069 Dresden, Germany

[2] Univ Halle Wittenberg, Fachbereich Phys, D-06099 Halle, Germany

[3] Tech Univ Dresden, Inst Solid State Phys, D-01069 Dresden, Germany

[4] Russian Acad Sci, Inst Solid State Phys, Moscow 142432, Russia

[5] Univ Bonn, Inst Phys & Theoret Chem, D-53115 Bonn, Germany

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 129卷 / 15期

关键词：

D O I：

10.1063/1.2993163

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

High-quality films of copper phthalocyanine (CuPc) prepared in situ were used as a model to characterize unoccupied states of organic molecular semiconductors. We demonstrate that a combination of high-resolution near-edge x-ray absorption together with first-principles calculations constitutes a reliable tool for the detection and identification of particular molecular orbitals. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2993163]

引用

页数：4

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