Comparative analysis of fluorene and carbazole fused triphenylamine sensitizer donor units with new anchoring mode in dye-sensitized solar cells

Selvam, Rajiv; Prakash, Gopi; Raju, Sathiyamoorthi; Subramanian, K.

doi:10.1016/j.reactfunctpolym.2017.11.013

Cited by 6 publications

(2 citation statements)

References 49 publications

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“…One of the main topics of research has been the quest for new low molecular weight hole-transporting materials (HTMs) to replace spiro-OMeTAD, a semiconductor molecule with a high cost and difficult synthesis. A first approach to the synthesis of novel semiconductor molecules for HTM is the use of electron-donating moieties, like diphenylamines (DPA), triphenylamines (TPA), and carbazoles units, as they have been already studied and widely used in dye sensitized solar cells (DSSCs). − …”

Section: Introductionmentioning

confidence: 99%

Benzothiadiazole Aryl-amine Based Materials as Efficient Hole Carriers in Perovskite Solar Cells

Rodríguez‐Seco

Méndez

Roldán‐Carmona

et al. 2020

ACS Appl. Mater. Interfaces

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Four hole transport materials (HTMs) based on a benzothiadiazole (BT) central core have been synthesized and successfully employed in triple-cation mixed-halide perovskite solar cells (PSCs), reaching 18.05% solar to energy conversion efficiency. The synthesis of these HTMs follows the push-and-pull approach to modulate the HOMO energy level by combining the BT group as an electron acceptor and diphenyl- and triphenyl-amines as electron donors. Here we show that despite adjusting the HOMO energy level to that of the perovskite is a believed requisite to achieve efficient interfacial hole transfer, additional factors must be taken into account to design novel and efficient HTMs, such as a high hole mobility, solubility in organic solvents, and thermal stability.

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Section: Introductionmentioning

confidence: 99%

Benzothiadiazole Aryl-amine Based Materials as Efficient Hole Carriers in Perovskite Solar Cells

Rodríguez‐Seco

Méndez

Roldán‐Carmona

et al. 2020

ACS Appl. Mater. Interfaces

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“…Nowadays hybrid perovskite semiconductors are newly emerged semiconductor and are potentially focus on research in solar cells due to their high e cacious nature 1 . A semiconductor Spiro-OMETAD have high molecular weight, high cost and di cult to synthesize replace by low molecular weight hole transporting material (HTMs) by using recently computational research techniques to ensure the high yield 2,3 .…”

Section: Introductionmentioning

confidence: 99%

Efficient Molecular Modelling of Butterfly-Shaped Hole Transport Materials With Remarkable Photovoltaic Properties For High-Performance Organic Solar Cells

Mehboob

Adnan

Hussain

et al. 2021

Preprint

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Currently, organic solar cells (OSCs) with non-fullerene electron acceptors offer the highest efficiencies among all reported OSCs. To further improve the efficiencies and stabilities of fullerene-free organic solar cells, end-capped acceptor variations is built with strong electron withdrawing groups. In this report, we have theoretically calculated five new butterfly-shaped fullerene-free acceptors (FD1-FD6) by making end-capped modifications on reference molecule (R) with the purpose to study the improvement in photophysical, opto-electronic, and photo-voltaic properties of newly designed molecules by employing density functional theory (DFT) and time dependent (TD-DFT). Besides, some properties like position of frontier molecular orbitals (FMOs), excitation and binding energy, hole-electron overlap, density of states, overlap density of states, molecular electrostatic potential, open circuit voltage, transition density matrix, and reorganizational energy of electron and hole are also considered and associated with experimentally synthesized reference compound. All calculated molecules displayed a good red-shifting with high charge mobility of electrons among low binding and excitation energies as opposed to reference molecule. Furthermore, all designed molecules (FD1-FD6) and the reference R shows narrow band-gap along-with great charge shifting capability. This theoretical framework proves that end-capped acceptors variation is a modest and effective strategy to accomplish the desirable opto-electronic properties. Therefore, FD1-FD6 are suggested to experimentalist for out-looking future developments to fabricate highly efficient solar cells devices.

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Butterfly-shaped hole transport materials with outstanding photovoltaic properties for organic solar cells

et al. 2021

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Comparative analysis of fluorene and carbazole fused triphenylamine sensitizer donor units with new anchoring mode in dye-sensitized solar cells

Cited by 6 publications

References 49 publications

Benzothiadiazole Aryl-amine Based Materials as Efficient Hole Carriers in Perovskite Solar Cells

Benzothiadiazole Aryl-amine Based Materials as Efficient Hole Carriers in Perovskite Solar Cells

Efficient Molecular Modelling of Butterfly-Shaped Hole Transport Materials With Remarkable Photovoltaic Properties For High-Performance Organic Solar Cells

Butterfly-shaped hole transport materials with outstanding photovoltaic properties for organic solar cells

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