| Issue |
E3S Web Conf.
Volume 580, 2024
2024 2nd International Conference on Clean Energy and Low Carbon Technologies (CELCT 2024)
|
|
|---|---|---|
| Article Number | 01004 | |
| Number of page(s) | 4 | |
| Section | Energy System Modeling and Ecological Resource Management | |
| DOI | https://doi.org/10.1051/e3sconf/202458001004 | |
| Published online | 23 October 2024 | |
The Regulation of Photoelectronic Property and Energy State of FAPbI3 Surface Via Ligand Dipole Design
1 College of Pipeline and Civil Engineering, China University of Petroleum (East China), Qingdao 266580, Shandong, China
2 College of Science, China University of Petroleum (East China), Qingdao 266580, Shandong, China
* Corresponding author: a fangwj@upc.edu.cn; b liubing19720115@gmail.com
Although the adding multifunction ligand can regulate the perovskite property, the effect of the enhancement depends on the ligand structure. In this paper, the polarity of aromatic ligand is regulated by design strategy — introducing fluorine (F) atom and alkyl chain (R-NH3). Those ligands affect the structure, photoelectric properties and energy state of formamidinium (FAPbI3) perovskite surface. The ligand polarity increases with more F atoms and R-NH3 length, which increases fermi energy and then decreasing band gap and increasing work function (WF). The CF3-PEA/BEA obtains the higher polarity and then increasing WF of the surface system from 6.21 eV to the higher 6.46 eV.
© The Authors, published by EDP Sciences, 2024
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