Exploration of the synergistic effect of chrysene-based core and benzothiophene acceptors on photovoltaic properties of organic solar cells.

Iqra Shafiq, Shehla Kousar, Faiz Rasool, Tansir Ahamad, Khurram Shahzad Munawar, Saifullah Bullo, Suvash Chandra Ojha

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Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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2 · The registry

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5 · Who and what money

Authors and funding

7 authors.

Iqra Shafiq *Institute of Chemistry, Khwaja Fareed University of Engineering & Information Technology, Rahim Yar Khan, 64200, Pakistan.

Shehla KousarInstitute of Chemistry, Khwaja Fareed University of Engineering & Information Technology, Rahim Yar Khan, 64200, Pakistan.

Faiz RasoolInstitute of Chemical Sciences, Bahauddin Zakariya University, Multan, 60800, Pakistan.

Tansir AhamadDepartment of Chemistry, King Saud University, 11451, Riyadh, Saudi Arabia.

Khurram Shahzad MunawarInstitute of Chemistry, University of Sargodha, Sargodha, 40100, Pakistan.

Saifullah BulloDepartment of Human and Rehabilitation Sciences, Begum Nusrat Bhutto Women University, Sukkur Sindh, Pakistan. saifullah.bullo@bnbwu.edu.pk.

Suvash Chandra Ojha *Department of Infectious Diseases, The Affiliated Hospital of Southwest Medical University, Luzhou, 646000, China. suvash_ojha@swmu.edu.cn.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

To improve the efficacy of organic solar cells (OSCs), novel small acceptor molecules (CTD1-CTD7) were designed by modification at the terminal acceptors of reference compound CTR. The optoelectronic properties of the investigated compounds (CTD1-CTD7) were accomplished by employing density functional theory (DFT) in combination with time-dependent density functional theory (TD-DFT). The M06 functional along with a 6-311G(d,p) basis set was utilized for calculating various parameters such as: frontier molecular orbitals (FMO), absorption maxima (λ

Indexed as

Binding energyChrysene derivativesNF-OSCsOpen circuit voltagePhotovoltaic response

Identifiers

PMID38956211

DOI10.1038/s41598-024-65459-6

PMCPMC11219797

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.