Issue 5, 2020

Edge functionalized graphene nanoribbons with tunable band edges for carrier transport interlayers in organic–inorganic perovskite solar cells

Abstract

Organic based graphene nanoribbons (GNRs) can be good candidates as carrier extraction interlayers for organic/inorganic hybrid perovskite solar cells, owing to the possibility of tuning the band edge energy levels through varying the width and the type of edge functionalization. By using the density functional theory (DFT) method, the electronic structures of H or F edge functionalized armchair type GNRs on MAPbI3(001) are calculated. It is shown that the electronic structure of H- or F-passivated GNRs is almost undisrupted by the non-covalent interaction with the PbI2 surface layer of MAPbI3(001), thereby one can tune the width and edge chemistry of GNRs to enhance the carrier extraction or blocking. Especially all H-GNRs five to ten carbon atoms wide exhibit good matching for hole extraction, while F-GNRs require a specific width for electron extraction. Exploiting the unzipping synthesis of carbon nanotubes in the solution phase, our result provides a facile strategy for efficient carrier extraction.

Graphical abstract: Edge functionalized graphene nanoribbons with tunable band edges for carrier transport interlayers in organic–inorganic perovskite solar cells

Supplementary files

Article information

Article type
Paper
Submitted
28 Nov 2019
Accepted
06 Jan 2020
First published
06 Jan 2020

Phys. Chem. Chem. Phys., 2020,22, 2955-2962

Edge functionalized graphene nanoribbons with tunable band edges for carrier transport interlayers in organic–inorganic perovskite solar cells

E. M. Kim, S. Javaid, J. H. Park and G. Lee, Phys. Chem. Chem. Phys., 2020, 22, 2955 DOI: 10.1039/C9CP06430C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements