Properties of NTCDA Thin Films on Ag(110): Scanning Tunneling Microscopy, Photoemission, Near-Edge X-ray Fine Structure, and Density Functional Theory Investigations,The Journal of Physical Chemistry C

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Properties of NTCDA Thin Films on Ag(110): Scanning Tunneling Microscopy, Photoemission, Near-Edge X-ray Fine Structure, and Density Functional Theory Investigations
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2018-12-24 , DOI: 10.1021/acs.jpcc.8b08093
Yongfeng Tong _{1,

2} , Javier D. Fuhr ₃ , Maria Luz Martiarena ₃ , Hamid Oughaddou ₂ , Hanna Enriquez ₂ , François Nicolas ₁ , Karine Chaouchi ₁ , Stefan Kubsky ₁ , Azzedine Bendounan ₁

Affiliation

It is well proven that the properties of organic/metal interfaces play an utmost role in the performance of organic devices. Here we present a study on structural and electronic properties of high-quality 1,4,5,8-naphthalene tetracarboxylic dianhydride (NTCDA) films grown on an Ag(110) surface. High-resolution scanning tunneling microscopy and low-energy electron diffraction show the presence of two molecular domains. Density functional theory calculations indicate that the most stable location of NTCDA corresponds to anhydride oxygen attached to the Ag atoms along the [110] direction. Photoemission results of the C 1s and O 1s core levels demonstrate a strong interfacial bonding, inducing a charge transfer from the Ag metal to the molecular monolayer. An angular-dependent study of the C K-edge near-edge X-ray fine structure spectra provides detailed information concerning the evolution of the NTCDA orientation with the film thickness.

中文翻译：

Ag（110）上NTCDA薄膜的特性：扫描隧道显微镜，光发射，近边缘X射线精细结构和密度泛函理论研究

业已证明，有机/金属界面的特性在有机设备的性能中起着至关重要的作用。在这里，我们介绍了在Ag（110）表面上生长的高质量1,4,5,8-萘四甲酸二酐（NTCDA）膜的结构和电子性能的研究。高分辨率扫描隧道显微镜和低能电子衍射表明存在两个分子域。密度泛函理论计算表明，NTCDA的最稳定位置对应于沿[110]方向附着在Ag原子上的酸酐氧。C 1s和O 1s核心能级的光发射结果显示出很强的界面键合，导致电荷从Ag金属转移到分子单分子层。

更新日期：2018-12-25

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