Balanced Miscibility and Crystallinity by 2D Acceptors Enabled Halogen‐Free Solvent‐Processed Organic Solar Cells to Achieve 19.28% Efficiency DOI
Yongwen Lang, Hanjian Lai, Yúang Fu

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 19, 2024

Two highly crystalline 2D acceptors, ATIC-C11 and ATIC-BO, with acenaphthene-expanded quinoxaline central cores, have been demonstrated very different characteristics in ternary organic solar cells (OSCs). The difference side chains induces their distinctive molecular packing mode unique crystal structure, which displays a 3D structure an elliptical framework, ATIC-BO gives rectangular framework. Their high crystallinity contributes to organized devices, thus low energetic disorder suppressed energy loss. Through the analysis of morphology carrier kinetics, it is found that ATIC-BO's strong self-aggregation immiscibility induce large aggregates severely impede charge transfer (CT) dissociation. Conversely, ATIC-C11's suitable compatibility positively regulate kinetics during film formation, forming much-ordered favorable phase separation size blend films. As result, ATIC-C11-based devices achieve efficiency 19.28% potential scalability stability, top-ranking among nonhalogenated solvent-processed OSCs. This work not only efficient stable halogen-free photovoltaics (OPVs), but also offers new thought for material design selection rule on third component

Language: Английский

Indolocarbazole-based small molecules as guest donors for High-Performance ternary organic photovoltaics DOI

Hsiao Han Chiu,

Bing‐Huang Jiang,

Hong Chi Wang

et al.

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 469, P. 143938 - 143938

Published: June 5, 2023

Language: Английский

Citations

18
Data mining and library generation to search electron-rich and electron-deficient building blocks for the designing of polymers for photoacoustic imaging DOI Creative Commons
Muhammad Ishfaq,

Tayyaba Mubashir,

Safaa N. Abdou

et al.

Heliyon, Journal Year: 2023, Volume and Issue: 9(11), P. e21332 - e21332

Published: Oct. 26, 2023

Photoacoustic imaging is a good method for biological imaging, this purpose, materials with strong near infrared (NIR) absorbance are required. In the present study, machine learning models used to predict light absorption behavior of polymers. Molecular descriptors utilized train variety models. Building blocks searched from chemical databases, as well new building designed using library enumeration method. The Breaking Retrosynthetically Interesting Chemical Substructures (BRICS) employed creation 10,000 novel These polymers based on input and selected blocks. To enhance process, optimal model UV/visible maxima newly Concurrently, similarity analysis also performed polymers, synthetic accessibility calculated. summary, all easy synthesize, increasing their potential practical applications.

Language: Английский

Citations

18
A DFT approach toward designing selenophene‐based unfused small molecule acceptors by end‐capped modification for improving the photovoltaic performance of organic solar cells DOI

Jaweria Rukhsar,

Muhammad Waqas,

Muhamed Salim Akhter

et al.

Journal of Physical Organic Chemistry, Journal Year: 2023, Volume and Issue: 37(3)

Published: Dec. 6, 2023

Abstract In this study, we have developed a series of eight non‐fullerene acceptors, constituting A‐D‐A type small molecules named (SS1–SS8) to enlighten the open‐circuit voltage ( V oc ) and efficacy pre‐existed SR (reference) molecule. Density functional theory has been adopted computationally assess optoelectronic features fabricated with B3LYP/6‐31G (d, p) level theory. Several factors like charge transfer, light absorption, binding energy, dipole moment, reorganization energy are studied. The frontier orbitals analysis revealed that all newly less bandgap (ranging from 1.97 2.22 eV) than (2.23 eV). Similarly, these engineered also better absorption by screening remarkable redshift 676.23 789.28 nm (673.83 nm) in chloroform. These remarkably reduced excitation ranging 1.71 1.83 eV 1.84 eV. exclusive CT is carried out via J61:SS8 complex because higher SS8 (acceptor). Additionally, shown least loss, making it strong contender be used develop improved OSCs. Because exceptionally characteristics, (especially SS8) can considered potential aspirants for fabricating proficient

Language: Английский

Citations

17
Multiscale computational analysis of the effect of end group modification on PM6:BTP-x OSCs performance DOI

Qingxing Wu,

Chongchen Xiang,

Guangjun Zhang

et al.

Journal of Materials Chemistry C, Journal Year: 2024, Volume and Issue: 12(34), P. 13311 - 13324

Published: Jan. 1, 2024

Theoretical computational simulation are used to analyse the molecular stacking characteristics of PM6:BTP- x OSCs and role end group modifications.

Language: Английский

Citations

7
Balanced Miscibility and Crystallinity by 2D Acceptors Enabled Halogen‐Free Solvent‐Processed Organic Solar Cells to Achieve 19.28% Efficiency DOI
Yongwen Lang, Hanjian Lai, Yúang Fu

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 19, 2024

Two highly crystalline 2D acceptors, ATIC-C11 and ATIC-BO, with acenaphthene-expanded quinoxaline central cores, have been demonstrated very different characteristics in ternary organic solar cells (OSCs). The difference side chains induces their distinctive molecular packing mode unique crystal structure, which displays a 3D structure an elliptical framework, ATIC-BO gives rectangular framework. Their high crystallinity contributes to organized devices, thus low energetic disorder suppressed energy loss. Through the analysis of morphology carrier kinetics, it is found that ATIC-BO's strong self-aggregation immiscibility induce large aggregates severely impede charge transfer (CT) dissociation. Conversely, ATIC-C11's suitable compatibility positively regulate kinetics during film formation, forming much-ordered favorable phase separation size blend films. As result, ATIC-C11-based devices achieve efficiency 19.28% potential scalability stability, top-ranking among nonhalogenated solvent-processed OSCs. This work not only efficient stable halogen-free photovoltaics (OPVs), but also offers new thought for material design selection rule on third component

Language: Английский

Citations

7