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Updated: Jan 19, 2026

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Titanium-carbide MXenes for work function and interface engineering in perovskite solar cells.

A Agresti1,2, A Pazniak3, S Pescetelli1

  • 1Centre for Hybrid and Organic Solar Energy, Department of Electronic Engineering, University of Rome Tor Vergata, Rome, Italy.

Nature Materials
|September 11, 2019
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Summary

Two-dimensional transition metal carbides (MXenes) enhance perovskite solar cell efficiency by tuning work functions and engineering interfaces. This MXene integration boosts power conversion efficiency by 26% and reduces hysteresis.

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Area of Science:

  • Materials Science
  • Renewable Energy
  • Nanotechnology

Background:

  • Perovskite solar cells (PSCs) require optimized device design and interface engineering for improved efficiency.
  • Efficient charge extraction at selective electrodes is crucial for PSC performance.

Purpose of the Study:

  • To investigate the use of MXene Ti3C2Tx as an interface engineering material in PSCs.
  • To tune the work function (WF) of perovskite absorbers and TiO2 electron transport layers (ETLs) using MXenes.
  • To enhance the optoelectronic properties and performance of PSCs through MXene integration.

Main Methods:

  • Utilized two-dimensional transition metal carbides (MXene Ti3C2Tx) with varying termination groups (Tx).
  • Employed ultraviolet photoemission spectroscopy (UPS) and density functional theory (DFT) calculations.
  • Fabricated and characterized MXene-modified PSCs.

Main Results:

  • MXene Ti3C2Tx successfully tuned the work functions of perovskite and TiO2 layers without altering other electronic properties.
  • MXene integration induced a dipole at the perovskite/ETL interface, modifying band alignment.
  • MXene-modified PSCs exhibited a 26% increase in power conversion efficiency and reduced hysteresis compared to reference cells.

Conclusions:

  • MXenes are effective for work function tuning and interface engineering in PSCs.
  • The combined effects of WF tuning and interface modification by MXenes significantly improve PSC performance.
  • MXene integration offers a promising strategy for developing highly efficient and stable perovskite solar cells.