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The polymerization process that involves carbanion as an intermediate is called anionic polymerization. It is also a type of addition or chain-growth polymerization. Anionic polymerization gets initiated by a strong nucleophile such as an organolithium or a Grignard reagent. The most commonly used initiator for anionic polymerization is butyl lithium. Monomers involved in anionic polymerization must possess a vinyl group bonded to one or two electron-withdrawing groups. For instance,...
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The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
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Carboxylate-Containing Wide-Bandgap Polymers for High-Voltage Non-Fullerene Organic Solar Cells.

Xianda Li1,2, Ailing Tang2, Qing Guo1

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|July 6, 2022
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Carboxylate functionalization enhances polymer properties for high-voltage organic solar cells (OSCs). Chlorinated polymers like TTC-Cl achieve over 1.25 V open-circuit voltage, reducing energy loss for efficient indoor photovoltaics.

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benzotriazolecarboxylate functionalizationenergy losshalogenationnon-fullerene acceptors

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Area of Science:

  • Materials Science
  • Polymer Chemistry
  • Photovoltaics

Background:

  • Carboxylate functionalization is a key strategy for modifying polymer energy levels, crystallinity, and aggregation.
  • Achieving high open-circuit voltage (VOC) above 1.0 V in carboxylate-containing polymers for organic solar cells (OSCs) remains a challenge.

Purpose of the Study:

  • To develop high-performance carboxylate-functionalized wide-band gap (WBG) donor polymers for high-voltage OSCs.
  • To investigate the impact of polymer structure (chlorinated vs. fluorinated) on device performance and energy loss mechanisms.

Main Methods:

  • Synthesis of two carboxylate-functionalized WBG donor polymers (TTC-F and TTC-Cl).
  • Fabrication of OSCs by pairing these polymers with WBG electron acceptors (BTA5 and F-BTA5).
  • Characterization of device performance, including open-circuit voltage (VOC), power conversion efficiency (PCE), and energy loss analysis.

Main Results:

  • The chlorinated polymer TTC-Cl exhibited deeper energy levels and higher VOC compared to the fluorinated TTC-F.
  • TTC-Cl based devices showed suppressed energetic disorders and trap-assisted recombination due to enhanced film aggregation.
  • The TTC-Cl:F-BTA5 blend achieved a VOC of 1.17 V and a PCE of 10.98%.
  • The TTC-Cl:BTA5 combination reached a VOC of 1.25 V with minimal nonradiative energy loss (0.17 eV).

Conclusions:

  • Carboxylate-containing polymer donors show significant potential for high-voltage OSCs by reducing energy loss and improving charge transport.
  • The developed materials are suitable for high-performance indoor photovoltaics due to matched absorption spectra and low voltage loss.