The transport gap of organic semiconductors studied using the combination of direct and inverse photoemission
The transport gap of organic semiconductors studied using the combination of direct and inverse photoemission
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DOI：
10.1016/j.chemphys.2006.02.003
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发表时间：
2006-06-09
期刊：
影响因子：
2.3
通讯作者：
Gorgoi, Mihaela
中科院分区：
文献类型：
--
作者：
Zahn, Dietrich R. T.;Gavrila, Gianina N.;Gorgoi, Mihaela
利用价带光电子能谱和逆光电子能谱相结合的方法，研究了无机半导体上苝衍生物和酞菁有机层的占据态和未占据态密度。的电离能和电子亲合势的确定，并建议可以从HOMO和LUMO边缘的距离来评估的材料的传输带隙。所得到的值的传输间隙，这是稍微小于其他公布的数据是在良好的协议，例如，电气测量。实验光谱与密度泛函理论计算得到的模拟光谱进行了比较。(c)2006 Elsevier B.V.保留所有权利。
The combination of valence band photoemission and inverse photoemission spectroscopy is applied to study the densities of occupied and unoccupied states of perylene derivative and phthalocyanine organic layers on inorganic semiconductors. The ionisation energies and electron affinities are determined and it is proposed that the transport gap of the materials can be evaluated from the distance of the HOMO and LUMO edges. The resulting values for the transport gap which are somewhat smaller than other published data are in good agreement with e.g. electrical measurements. The experimental spectra are compared with simulated ones obtained by density functional theory calculations. (c) 2006 Elsevier B.V. All rights reserved.