Molecular engineering with benzothiophene based bracing units to improve the photovoltaic properties of the naphthalene core based chromophores

Abstract A series of fused naphthalene-based chromophores (PT1–PT7) with an A-π-A configuration was designed through reference compound (PTR) for photovoltaic materials. Structural tailoring was done by incorporating benzothiophene (BT) based acceptor groups at the peripheral positions. Quantum chem...

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Hlavní autoři:	Muhammad Adnan Asghar, Iqra Shafiq, Sadia Jamal, Khalid Abdullah Alrashidi, Ke Chen
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Nature Portfolio 2025-07-01
Edice:	Scientific Reports
Témata:	Benzothiophene Photovoltaic Non-fullerene Frontier molecular orbital Transition density matrix
On-line přístup:	https://doi.org/10.1038/s41598-025-02101-z
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