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Surface Defect-Compensating Thiophene Ligands Reinforce Charge Transport in CsPbI3 Quantum Dot Solar Cells.

Miao Yan1, Jian Ni1, Shanjing Liu1

  • 1College of Electronic Information and Optical Engineering, State Key Laboratory of Photovoltaic Materials and Cells, Tianjin Key Laboratory of Efficient Utilization of Solar Energy, Engineering Research Center of Thin Film Optoelectronics Technology, Ministry of Education, Nankai University, Tianjin 300350, China.

ACS Applied Materials & Interfaces
|June 25, 2026
PubMed
Summary

Researchers developed a thiophene-assisted method to improve all-inorganic cesium lead iodide perovskite quantum dot (PQD) films for solar cells. This strategy reduces defects, enhancing device stability and boosting power conversion efficiency.

Keywords:
CsPbI3Ligand exchangePerovskite quantum dotSolar cellThiophene

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Photovoltaics

Background:

  • All-inorganic CsPbI3 perovskite quantum dots (PQDs) show promise for next-generation solar cells due to excellent optoelectronic properties.
  • Surface defects, often caused by ligand detachment, significantly hinder the performance of PQD-based devices.

Purpose of the Study:

  • To develop a solution-phase ligand exchange strategy using thiophene derivatives to reduce surface defects in CsPbI3 PQD films.
  • To enhance the stability and performance of all-inorganic PQD solar cells through molecular engineering.

Main Methods:

  • Fabrication of CsPbI3 PQD films using a thiophene-assisted solution-phase ligand exchange strategy with 2-Thiophenacetamide (TPT).
  • Characterization of PQD film structure, electronic coupling, and surface chemistry.
  • Density functional theory (DFT) calculations to understand TPT binding energy and defect compensation mechanisms.

Main Results:

  • TPT incorporation led to CsPbI3 PQD films with reduced structural defects and improved energetic homogeneity.
  • TPT demonstrated stronger binding energy on PQD surfaces, enhancing defect compensation and film stability.
  • TPT-treated PQD solar cells achieved a power conversion efficiency of 15.1%, an increase from 13.7% in conventionally processed devices.

Conclusions:

  • The thiophene-assisted ligand exchange strategy effectively passivates surface defects in CsPbI3 PQDs.
  • TPT acts as a robust ligand, improving interdot electronic coupling and overall film stability.
  • This molecular engineering approach offers a viable pathway for developing high-performance all-inorganic PQD photovoltaics.