期刊
HELIYON
卷 8, 期 12, 页码 -出版社
CELL PRESS
DOI: 10.1016/j.heliyon.2022.e12528
关键词
Organic-inorganic hybrid; DFT; Crystal structure; Halobismuthate
资金
- National Natural Science Foundation of China [21832005, 22072071, 51972195, 21972078, U1832145]
- Project for Scientific Research Innovation Team of Young Scholar in Colleges and Universities of Shandong Province [2019KJA009]
- Shandong University multidisciplinary research and innovation team of young scholars [2020QNQT11]
In this study, p-iodoaniline and p-phenylenediamine were introduced into Bi-based hybrid materials to prepare two photoactive iodobismuthates. Structural analysis and DFT calculations revealed specific structures and interactions in these materials. Photodetector experiments showed that the interaction provided by p-phenylenediamine has a positive effect on the optoelectronic properties of PIDBI.
With the increase of the passion on lead-free perovskites, more and more endeavor focused on halobismuthates. Here, we have introduced the p-iodoaniline and p-phenylenediamine into Bi-based hybrid materials, and two photoactive iodobismuthate named p-phenylenediamine iodobismuthate (PDABI) and p-iodoaniline iodobismuthate (PIDBI) were prepared. Their single structures, band gaps, thermostability and other properties were explored. The structure results revealed that they all have 1D BiI4- anion chains with edge-shared BiI6 octahedron. The DFT result revealed that PIDBI had an inherent interaction between the I substituent in p-iodoaniline cation and the Bi atom in inorganic BiI4- anion chains. The photodetector assembled by PDABI and PIDBI revealed that the interaction provided by symmetric p-phenylenediamine has a positive effect on PIDBI's optoelectronic properties compared to the role of asymmetric p-iodoaniline in PDABI.
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