P1 Push‐Pull Dye as a Case Study in QM/MM Theoretical Characterization for Dye‐sensitized Solar Cell Organic Chromophores**

D’Annibale, Valeria; Chen, Cheng Giuseppe; Bonomo, Matteo; Dini, Danilo; D’Abramo, Marco

doi:10.1002/slct.202204904

Cited by 2 publications

(2 citation statements)

References 65 publications

(123 reference statements)

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“…Among various solar cell technologies, their use in dye-sensitized solar cells (DSSCs) has revealed interesting results since such donor-π-acceptor (D-π-A) sensitizers exhibit strong molar absorption, making it possible to use thin oxide films compatible with the improvement in the open circuit voltage [61][62][63][64][65]. The operating principle of DSSCs incorporating push-pull assemblies at inorganic oxide surfaces is depicted in Figure 3, extracted from the recent article by D'Annibale et al [66]. Upon light absorption, an electron is transferred from a p-type semiconducting substrate (valence band, VB) to the donor group of the dye (D), which becomes excited (D*), and the acceptor moiety withdraws the electron from the donor through the spacer (step a).…”

Section: Sams From Push-pull Chromophores For Dye-sensitized Solar Ce...mentioning

confidence: 99%

Self-Assembled Monolayers of Push–Pull Chromophores as Active Layers and Their Applications

Wang,

Gadenne,

Patrone

et al. 2024

Molecules

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In recent decades, considerable attention has been focused on the design and development of surfaces with defined or tunable properties for a wide range of applications and fields. To this end, self-assembled monolayers (SAMs) of organic compounds offer a unique and straightforward route of modifying and engineering the surface properties of any substrate. Thus, alkane-based self-assembled monolayers constitute one of the most extensively studied organic thin-film nanomaterials, which have found wide applications in antifouling surfaces, the control of wettability or cell adhesion, sensors, optical devices, corrosion protection, and organic electronics, among many other applications, some of which have led to their technological transfer to industry. Nevertheless, recently, aromatic-based SAMs have gained importance as functional components, particularly in molecular electronics, bioelectronics, sensors, etc., due to their intrinsic electrical conductivity and optical properties, opening up new perspectives in these fields. However, some key issues affecting device performance still need to be resolved to ensure their full use and access to novel functionalities such as memory, sensors, or active layers in optoelectronic devices. In this context, we will present herein recent advances in π-conjugated systems-based self-assembled monolayers (e.g., push–pull chromophores) as active layers and their applications.

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Section: Sams From Push-pull Chromophores For Dye-sensitized Solar Ce...mentioning

confidence: 99%

Self-Assembled Monolayers of Push–Pull Chromophores as Active Layers and Their Applications

Wang,

Gadenne,

Patrone

et al. 2024

Molecules

View full text Add to dashboard Cite

show abstract

“…In 2023, D’Annibale and co‐workers [ 81 ] presented quantum mechanics/molecular mechanics (QM/MM) approaches for P1 push–pull dye for p‐type DSSC application. This research offers a detailed analysis of the absorption spectrum and the redox properties of both the ground and excited states of the P1 dye, a fundamental system in p‐DSSCs.…”

Section: Molecular Design Of P‐type Metal‐free Organic Sensitizersmentioning

confidence: 99%

Metal‐Free Organic Dyes for NiO‐Based Dye‐Sensitized Solar Cells: Recent Developments and Future Perspectives

Naik,

Elias,

Keremane

et al. 2024

Energy Tech

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The increasing global demand for energy and growing environmental concerns emphasize the crucial role of solar energy as a sustainable and nondepletable resource. Solar cells, particularly dye‐sensitized solar cells (DSSCs), have gained prominence due to their efficient conversion of solar power, ecofriendly manufacturing processes, and noteworthy stability. Current research in sustainable energy focuses on transitioning from metal‐based to metal‐free organic materials. Tandem solar cells, combining n‐type and p‐type semiconductors sensitized with diverse photoactive dyes, show potential to surpass thermodynamic limits in photon conversion efficiency. Notably, the exploration of n‐type DSSCs as photoanodes in tandem architectures is promising. However, the absence of efficient p‐type photoactive cathodes remains a significant obstacle. Global research efforts are dedicated to addressing charge recombination issues in NiO‐based devices to enhance the efficiency of p‐type DSSCs. The success of any DSSC hinges on the selection of dyes/sensitizers with suitable anchoring groups, wide absorption in the visible–NIR region, and a high extinction coefficient. This article comprehensively reviews advancements in developing highly efficient p‐type sensitizers, emphasizing their pivotal role in unlocking the full potential of tandem solar cells.

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P1 Push‐Pull Dye as a Case Study in QM/MM Theoretical Characterization for Dye‐sensitized Solar Cell Organic Chromophores**

Cited by 2 publications

References 65 publications

Self-Assembled Monolayers of Push–Pull Chromophores as Active Layers and Their Applications

Self-Assembled Monolayers of Push–Pull Chromophores as Active Layers and Their Applications

Metal‐Free Organic Dyes for NiO‐Based Dye‐Sensitized Solar Cells: Recent Developments and Future Perspectives

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