Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 39, 2016
Previous Article Next Article

How to regulate energy levels and hole mobility of spiro-type hole transport materials in perovskite solar cells

Author affiliations

Abstract

Methoxyaniline-based organic small molecules with three-dimensional structure have been proven as the most promising hole conductor for state-of-the-art perovskite devices. A fundamental understanding of the electronic properties and hole transport behavior of spiro-CPDT analogues, which is dependent on the number and position of the –OCH3 groups, is significant for their potential applications as hole transport materials of perovskite solar cells. Our results from density functional theory calculations indicate that meta-substitution is more beneficial to reduce the highest occupied molecular orbital (HOMO) levels of molecules compared with ortho- and para-substitution. Furthermore, the hole mobility can be improved by ortho-substitution or mixed ortho- and para-substitution. Most interestingly, it is found that the improvement in hole mobility is at the expense of raising the HOMO level of spiro-CPDT analogues. These results can be useful in the process of designing and synthesizing excellent hole transport materials with suitable HOMO levels and high hole mobility.

Graphical abstract: How to regulate energy levels and hole mobility of spiro-type hole transport materials in perovskite solar cells

Back to tab navigation

Supplementary files

Article information


Submitted
16 May 2016
Accepted
06 Jul 2016
First published
07 Jul 2016

Phys. Chem. Chem. Phys., 2016,18, 27073-27077
Article type
Communication

How to regulate energy levels and hole mobility of spiro-type hole transport materials in perovskite solar cells

W. Chi, P. Sun and Z. Li, Phys. Chem. Chem. Phys., 2016, 18, 27073
DOI: 10.1039/C6CP03316D

Social activity

Search articles by author

Spotlight

Advertisements