Issue 42, 2023, Issue in Progress

Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study

Abstract

This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs). The criteria for appropriate HTMs were evaluated, including solubility, hole mobility, light harvesting efficiency (LHE), exciton binding energy (Eb), hole reorganization energy (λh), hole mobility, and HTM performance. It was found that several of the compounds had higher hole mobility than Spiro-OMeTAD, a commonly used HTM in PSCs. The open circuit voltage and fill factor of the suitable GQD and GQD-3Xs were found to be within appropriate ranges for HTM performance in MAPbI3 PSCs. GQD-COOH and GQD-COOCH3 were identified as the most suitable HTMs due to their high solubility, small λh, and appropriate performance.

Graphical abstract: Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study

Article information

Article type
Paper
Submitted
10 Aug 2023
Accepted
27 Sep 2023
First published
04 Oct 2023
This article is Open Access
Creative Commons BY license

RSC Adv., 2023,13, 29163-29173

Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study

A. Kumar, M. I. Sayyed, D. Punina, E. Naranjo, E. Jácome, M. K. Abdulameer, H. J. Albazoni and Z. Shariatinia, RSC Adv., 2023, 13, 29163 DOI: 10.1039/D3RA05438A

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