Xiong Wei, Ren Xiang, Da Binbin, Zhang Yong, Zhang Hui, Lu Jianchen, Cai Jinming
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming, Yunnan 650093, China.
Phys Chem Chem Phys. 2021 Sep 14;23(34):18930-18935. doi: 10.1039/d1cp03074d. Epub 2021 Aug 24.
Zinc(ii) tetraphenylporphyrin (ZnTPP) has very broad application prospects in the fields of supramolecular chemistry, solar cells and nanomaterials. In this paper, by using scanning tunneling microscopy (STM), we systematically investigated the ZnTPP molecule and its four derivatives formed by thermal annealing were characterized unambiguously by bond-resolved STM (BR-STM). The electronic properties of the ZnTPP molecule and its four cyclodehydrogenation products were investigated by scanning tunneling spectroscopy (STS) combined with DFT calculations. The spatial distribution of molecular frontier orbitals of four products was obtained by dI/dV mappings. This work gives rise to a full-scale investigation of ZnTPP on Au(111), which will be potentially useful in nanodevices and optoelectronics.
锌（II）四苯基卟啉（ZnTPP）在超分子化学、太阳能电池和纳米材料领域具有非常广阔的应用前景。在本文中，通过使用扫描隧道显微镜（STM），我们系统地研究了ZnTPP分子，并且通过键分辨STM（BR-STM）明确地表征了通过热退火形成的其四种衍生物。通过扫描隧道光谱（STS）结合密度泛函理论（DFT）计算研究了ZnTPP分子及其四种环脱氢产物的电子性质。通过dI/dV映射获得了四种产物分子前沿轨道的空间分布。这项工作对Au(111)上的ZnTPP进行了全面研究，这在纳米器件和光电子学中可能会有用。
