Efficient hole transport materials based on naphthyridine core designed for application in perovskite solar photovoltaics.
Absorption spectra
Density functional theory
Hirshfeld surface analysis
Hole transport materials
Naphthyridine
Perovskite solar cells
Journal
Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237
Informations de publication
Date de publication:
Dec 2022
Dec 2022
Historique:
received:
01
06
2022
revised:
01
08
2022
accepted:
03
08
2022
pubmed:
25
8
2022
medline:
25
8
2022
entrez:
24
8
2022
Statut:
ppublish
Résumé
Naphthyridine-based compounds with a donor-acceptor-donor (D-A-D) skeleton were considered as hole transport materials (HTMs) for perovskite solar cells (PSCs). The optical characteristics, stability, solubility, Hirshfeld surface analysis, crystal structure, and hole transport properties of the HTMs were studied systematically. The HOMO energies of all HTMs were higher than valence band of CH
Identifiants
pubmed: 36001906
pii: S1093-3263(22)00171-1
doi: 10.1016/j.jmgm.2022.108292
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
108292Informations de copyright
Copyright © 2022 Elsevier Inc. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.