Enhancing Efficiency and Durability of Perovskite Solar Cells With Chlorine-Functionalized Fully Conjugated Porous...

Area of Science:

• Materials Science
• Renewable Energy
• Organic Chemistry

Background:

• Non-radiative recombination at trap states limits perovskite solar cell (PSC) efficiency and stability.
• Porous organic polymers (POPs) offer potential for defect passivation but often lack stability or clear interaction sites.
• Developing effective passivation agents is crucial for advancing PSC technology.

Purpose of the Study:

• To design and synthesize novel chlorine-functionalized porous aromatic frameworks (PAFs) for defect passivation in PSCs.
• To investigate the passivation mechanism and its impact on photovoltaic performance and stability.
• To enhance the efficiency and longevity of PSCs through advanced defect management.

Main Methods:

• Synthesis of chlorine-functionalized PAFs via decarbonylation reaction.
• Fabrication and characterization of PSCs incorporating PAFs as dopants.
• Experimental techniques (e.g., device testing, stability measurements) and theoretical analyses (e.g., DFT calculations) to study passivation effects.

Main Results:

• Chlorinated PAFs with long-range conjugated networks significantly improved PSC performance and stability.
• PAF-159 demonstrated enhanced passivation through stronger Cl-Pb bonding and facilitated charge transfer, attributed to its triphenylamine moiety and π* anti-bonding orbitals.
• Achieved a power conversion efficiency (PCE) of 24.3% with excellent storage (86% after 3000h) and operational (92% after 350h) stability.

Conclusions:

• Chlorine-functionalized PAFs are effective defect passivation agents for PSCs.
• The conjugated structure and specific functional groups (Cl, triphenylamine) in PAFs play a key role in enhancing device performance and stability.
• This work presents a promising strategy for developing stable and efficient PSCs through advanced materials design.