Adsorption of Methyl-Substituted Benzylazide on Si(001): Reaction Channels and Final Configurations
Adsorption of Methyl-Substituted Benzylazide on Si(001): Reaction Channels and Final Configurations
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DOI：
10.1021/acs.jpcc.0c01009
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发表时间：
2020-05-07
影响因子：
3.7
通讯作者：
Duerr, Michael
中科院分区：
文献类型：
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作者：
Heep, Julian;Luy, Jan-Niclas;Duerr, Michael
利用X射线光电子能谱（XPS）、扫描隧道显微镜（STM）和密度泛函理论（DFT）研究了甲基取代的苄基叠氮化合物在硅（001）表面的反应.发现反应通过中间态发生，这可以在低温下通过实验观察到。XPS分析表明，在150 K及以上的温度下，叠氮化物通过N-2的提取在硅表面上进一步反应。最终状态是吸附物中剩余的氮原子与表面共价结合。在STM图像中，这种最终状态与两种不同的吸附构型相关联。与DFT计算相比，这两种构型被分配给仅通过氮原子结合的分子和同时通过氮原子和碳环结合到衬底的分子的构型。
The reaction of a methyl-substituted benzylazide on the silicon (001) surface was investigated by means of X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and density functional theory (DFT)-based computations. It was found that the reaction takes place via an intermediate state, which could be experimentally observed at low temperatures. XPS analysis showed that at temperatures of 150 K and above, the azide further reacts on the silicon surface via abstraction of N-2. The final state sees the remaining nitrogen atom of the adsorbate binding covalently to the surface. In the STM images, this final state is associated with two different adsorption configurations. In comparison with DFT calculations, these two configurations are assigned to the molecule being bound via the nitrogen atom only and to a configuration with the molecule bound to the substrate via the nitrogen atom and carbon ring simultaneously.