Efficient ternary bulk heterojunction organic solar cells using a low-cost nonfullerene acceptor

Sharma, Ganesh D.; Agrawal, Anupam; Schlachter, Adrien; Marineau-Plante, Gabriel; Harvey, Pierre D.

doi:10.1039/d1tc05653k

Cited by 7 publications

(3 citation statements)

References 77 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“… 6 Because of their elevated photoabsorption coefficient, enhanced stability, and robustness, OSCs may have an enhanced PCE when associated with silicon-based SCs. 7 There are several organic molecules that may be altered to construct novel and enhanced photovoltaic materials. 8 …”

Section: Introductionmentioning

confidence: 99%

“…The development of the bulk heterojunction OSCs caused to an improvement in the efficiency of SCs made from organic materials . Because of their elevated photoabsorption coefficient, enhanced stability, and robustness, OSCs may have an enhanced PCE when associated with silicon-based SCs . There are several organic molecules that may be altered to construct novel and enhanced photovoltaic materials …”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Modeling of Pentacyclic Aromatic Bislactam-Based Small Donor Molecules by Altering Auxiliary End-Capped Acceptors to Elevate the Photovoltaic Attributes of Organic Solar Cells

et al. 2022

View full text Add to dashboard Cite

Small-molecule (SM)-based organic solar cells (OSCs) have dominated the photovoltaic industry on account of their efficient optical and electronic properties. This quantum mechanical study addresses a DFT study of pentacyclic aromatic bislactam (PCL)-based small molecules for extremely proficient OSCs. Five novel small molecules ( PCLM1–PCLM5 ) retaining the A−π–A−π–D−π–A−π–A arrangement were fabricated from the reference PCLR . At the MPW1PW91/6-31G** level of theory, detailed profiling of these novel molecules was performed by accurately following DFT, along with the time-dependent density functional theory (TD-DFT) hypothetical simulations to analyze the UV–visible absorption (λ max ), light-harvesting efficiency (LHE), dipole moment (μ), fill factor (FF), open-circuit voltage ( V OC ), power conversion efficiency (PCE), frontier molecular orbitals (FMOs), binding energy ( E b ), density of states (DOS), electrostatic potential (ESP), and transition density matrix (TDM) plots. Alteration of peripheral acceptors in all of the molecular structures drastically modified their charge-transfer properties, such as a strong light-harvesting capability in the range of 0.9993–0.9998, reduced exciton E b (from 0.34 to 0.39 eV), a reduced bandgap ( E g ) in the range of 1.66–1.99 eV, an elevated λ max (775–959 nm) along with a higher μ in the solvent phase (1.934–7.865 D) when studied in comparison with PCLR , possessing an LHE of 0.9986, an E b of 0.40, an E g 2.27 eV, λ max at 662 nm, and a μ of 0.628 D. The FMO analysis revealed the uniform dispersal of charge density entirely along the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbitals in newly constructed moieties. Electron as well as hole mobility rates, V OC , FF, and PCE of all novel molecules (PCLM1–PCLM5) were higher as compared with those of PCLR , ultimately making them exceptional candidates for solar devices. Focusing on the outcomes, terminal acceptor modification was found to be a suitable method for the development of highly tuned OSCs in the future.

show abstract

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular Modeling of Pentacyclic Aromatic Bislactam-Based Small Donor Molecules by Altering Auxiliary End-Capped Acceptors to Elevate the Photovoltaic Attributes of Organic Solar Cells

et al. 2022

View full text Add to dashboard Cite

show abstract

“…More free carriers will be generated and resulting in larger photocurrent [5]. Thus, bulk heterojunction structure is found to be more efficient [5,[8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Graphene as a hole transport layer for enhanced performance of P3HT: PCBM bulk heterojunction organic solar cell: a numerical simulation study

Davis

Shamna

Nithya

et al. 2022

IOP Conf. Ser.: Mater. Sci. Eng.

View full text Add to dashboard Cite

As sustainable and green energy technologies advance, academic and industrial researchers have been more interested in organic solar cells. Organic solar cells have some key advantages, such as lightweight, flexibility and cheapness that make them an ideal choice as an alternative to other types of solar cells. Bulk heterojunction solar cells combine the advantages of easier fabrication and higher conversion efficiency, making them the best structure currently. In this work P3HT: PCBM is used as the active layer material. PDINO and PFN-Br are used as the electron transport layers in this work. Graphene, which is taken as the hole transport layer in this work, is a unique material for future applications in organic photovoltaics due to its remarkable optical properties and excellent electron/hole transport properties. Corresponding to two different electron transport layers two different device configurations are studied in the work. Bulk hetero-junction organic solar cell simulation study is done using the solar cell capacitance simulator (SCAPS1D). The thickness, electron and hole mobilities, and defect density of the active layer are varied for each device configuration, and their effect on device output performance is analysed. A comparative study of device performance between the different configurations has been done.

show abstract

Spirothienoquinoline-based acceptor molecular systems for organic solar cell applications: DFT investigation

et al. 2022

View full text Add to dashboard Cite

Efficient ternary bulk heterojunction organic solar cells using a low-cost nonfullerene acceptor

Abstract: In order to improve the power conversion efficiency of single junction polymer solar cells (PSCs), we have used a ternary blend consisting of low bandgap D-A conjugated polymer P and...

Cited by 7 publications

References 77 publications

Molecular Modeling of Pentacyclic Aromatic Bislactam-Based Small Donor Molecules by Altering Auxiliary End-Capped Acceptors to Elevate the Photovoltaic Attributes of Organic Solar Cells

Molecular Modeling of Pentacyclic Aromatic Bislactam-Based Small Donor Molecules by Altering Auxiliary End-Capped Acceptors to Elevate the Photovoltaic Attributes of Organic Solar Cells

Graphene as a hole transport layer for enhanced performance of P3HT: PCBM bulk heterojunction organic solar cell: a numerical simulation study

Spirothienoquinoline-based acceptor molecular systems for organic solar cell applications: DFT investigation

Contact Info

Product

Resources

About