Electronic properties of the charge transfer material MnPc/F4TCNQ
Electronic properties of the charge transfer material MnPc/F4TCNQ
复制标题
DOI：
10.1063/1.4962578
复制
发表时间：
2016-09-21
影响因子：
4.4
通讯作者：
Kortus, Jens
中科院分区：
文献类型：
--
作者：
Rueckerl, Florian;Mahns, Benjamin;Kortus, Jens
我们提出了由锰（II）酞菁（MnPc）和2,3,5,6-四氟-7,7,8,8-四氰喹诺二甲烷（F(4)TCNQ）组成的电荷转移材料的电子性质，并通过光电光谱和电子能量损失光谱以及支持密度泛函理论计算进行了研究。我们成功地形成了一种以分子化合物的强相互作用为特征的块状材料，这种材料显著地影响了光学性质。我们的研究揭示了一个显著的电荷转移，而MnPc分子被氧化，F(4)TCNQ被还原。价带数据表明两个伙伴之间有完全的电荷转移。电子激发谱显示MnPc/F(4)TCNQ的能隙较小，约为0.7 eV，这与电荷转移激发有关。AIP出版社出版。
We present electronic properties of a charge transfer material consisting of Manganese(II) Phthalocyanine (MnPc) and 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F(4)TCNQ), investigated by means of photoemission spectroscopy and electron energy-loss spectroscopy, as well as supporting density functional theory calculations. We report the successful formation of a bulk material characterized by a strong interaction of the molecular compounds which affects the optical properties significantly. Our investigations reveal a significant charge transfer, whereas the MnPc molecule is oxidized and F(4)TCNQ is reduced. The valence band data indicate a full charge transfer between the two partners. The electronic excitation spectrum reveals a relatively small energy gap of MnPc/F(4)TCNQ of about 0.7 eV, which is related to a charge transfer excitation. Published by AIP Publishing.