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June 3, 2026Physical Chemistry Chemical Physics0 citations

Weak interactions in mixed symmetric and asymmetric self-assembled monolayers for perovskite solar cells: a classical molecular dynamic view

JTJun TangHBHehuan BaiXZX. Y. ZhangChongqing University

Key Points

  • This research aims to understand the role of weak interactions in self-assembled monolayers within perovskite solar cells.
  • Conducted classical molecular dynamics simulations to analyze interactions in SAMs.
  • Investigated both symmetric and asymmetric configurations of SAMs.
  • Identified significant differences in hole-transport efficiency across varied SAM structures.
  • Demonstrated that specific interactions positively influence charge transport in PSCs.

Abstract

Self-assembled monolayers (SAMs) serve as critical hole-transporting components at the buried interfaces of high-performance inverted perovskite solar cells (PSCs). Herein, comprehensive classical molecular dynamics (MD) simulations were performed to elucidate...

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Cite This Study

Tang et al. (2026) studied this question.

synapsesocial.com/papers/6a1fc530dee9eb8c0dce6975https://doi.org/10.1039/d6cp01293k
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