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Designing four naphthalene di-imide based small organic solar cells with 5,6-difluoro-3-oxo-2,3-dihydro-indene non-fullerene acceptors
Ali, Usman1,2,3; Ahmad, Hafiz Muhammad Rizwan4,5; Faizan, Muhammad6; Kiran, Adeela3; Khalil, Muhammad Tahir7
2021-09-01
Source PublicationOPTICAL AND QUANTUM ELECTRONICS
ISSN0306-8919
Volume53Issue:9Pages:22
AbstractFour new molecules namely bis (5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene) di-malononitrile (NDM-1), 3-fluorothiophen-2-yl) methylene)-5, 6-difluoro-3-oxo-2, 3-dihydro-1H-inden-1-ylidene) acetate (NDM-2), 5, 6-difluoro-3-oxo-2, 3-dihydro-1H-inden-1-ylidene)-3-methyl-2-thioxothiazolidin-4-ylidene) malononitrile (NDM-3) and bis (1-methyl-2, 6-dioxo-1, 2, 5, 6-tetrahydropyridine-3-carbonitrile) (NDM-4) contains central Naphthalene Di-Imide unit with different end cap acceptors have been designed for enhance the photovoltaic efficiencies. Absorption values of designed molecules lies between 400 and 490 nm, re-organization energy values varies from 0.41 to 0.67 eV for electron and 0.49 eV to 1.25 eV for hole transfer, open circuit voltages range from 4.39 to 4.73 V which indicates their better photovoltaic properties as compared to the R (3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene) methyl). Designed molecules proposed large number of electronic excitations and less charge loss at donor/acceptor interfaces due to small binding energy than reference molecule. Graphic abstract Charge transfer mechanism for adiabatic and vertical exchange.
KeywordCarbo-nitrile rings Non-fullerene acceptors Absorption bands Re-organization energy Electron withdrawing groups
DOI10.1007/s11082-021-03209-y
Language英语
WOS KeywordENERGY-RESOURCES ; VOLTAGE
WOS Research AreaEngineering ; Physics ; Optics
WOS SubjectEngineering, Electrical & Electronic ; Quantum Science & Technology ; Optics
WOS IDWOS:000691010100011
PublisherSPRINGER
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Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/50066
Collection中国科学院过程工程研究所
Corresponding AuthorAli, Usman
Affiliation1.Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, Beijing Natl Labs Mol Sci, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100190, Peoples R China
3.Univ Agr Faisalabad, Dept Chem, Faisalabad 38040, Pakistan
4.Xi An Jiao Tong Univ, Ctr Adv Mat Performance Nanoscale, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China
5.Int Islamic Univ, Dept Phys, Islamabad 44000, Pakistan
6.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China
7.Zhengzhou Univ, Coll Chem & Mol Engn, Zhengzhou 450001, Peoples R China
Recommended Citation
GB/T 7714
Ali, Usman,Ahmad, Hafiz Muhammad Rizwan,Faizan, Muhammad,et al. Designing four naphthalene di-imide based small organic solar cells with 5,6-difluoro-3-oxo-2,3-dihydro-indene non-fullerene acceptors[J]. OPTICAL AND QUANTUM ELECTRONICS,2021,53(9):22.
APA Ali, Usman,Ahmad, Hafiz Muhammad Rizwan,Faizan, Muhammad,Kiran, Adeela,&Khalil, Muhammad Tahir.(2021).Designing four naphthalene di-imide based small organic solar cells with 5,6-difluoro-3-oxo-2,3-dihydro-indene non-fullerene acceptors.OPTICAL AND QUANTUM ELECTRONICS,53(9),22.
MLA Ali, Usman,et al."Designing four naphthalene di-imide based small organic solar cells with 5,6-difluoro-3-oxo-2,3-dihydro-indene non-fullerene acceptors".OPTICAL AND QUANTUM ELECTRONICS 53.9(2021):22.
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