Molecularly Engineered DBC-Pyrene Hole Transport Material Achieves Dual Passivation-Transport Functionality for...

Area of Science:

• Materials Science
• Renewable Energy
• Photovoltaics

Background:

• Perovskite solar cells (PSCs) face challenges from interfacial defects and instability, hindering high performance.
• Developing multifunctional materials is crucial for efficient charge transport and defect passivation in PSCs.

Purpose of the Study:

• To engineer a novel molecule, SP-07, with dual functionality as a hole-transport material (HTM) and interfacial passivation layer for PSCs.
• To investigate the impact of SP-07 on PSC efficiency, operational stability, and defect mitigation.

Main Methods:

• Molecular engineering of a dibenzo[g,p]chrysene (DBC)-based core with N-(4-methoxyphenyl)pyren-1-amine units to create SP-07.
• Fabrication and characterization of PSCs utilizing SP-07 as a standalone HTM and as an interfacial passivation layer.
• Performance evaluation under operational stress (illumination, heat) and ambient conditions.

Main Results:

• As an HTM, SP-07 achieved a stabilized power conversion efficiency (PCE) of 21.7% and superior operational stability compared to spiro-OMeTAD.
• As a passivation layer, SP-07 improved PSCs to a champion PCE exceeding 23% by mitigating defects and enhancing surface properties.
• Passivated devices retained ~95% of initial PCE after 1000 hours of stress and maintained structural integrity for 30 days.

Conclusions:

• The dual functionality of SP-07 offers synergistic improvements in both efficiency and long-term stability for PSCs.
• SP-07 presents a promising strategy for overcoming critical limitations in perovskite solar cell technology.
• This work highlights the potential of molecularly engineered materials for advanced photovoltaic applications.