Interlayer Slipping Facilitating Manipulation of Electronic Properties of Few‐Layer Two‐Dimensional Conjugated Polymers
ABSTRACT Two‐dimensional conjugated polymers (2DCPs) have received great interest in smart devices due to their unique physical properties associated with flexibility, nanosized thickness, and correlated quantum size effect. Control of interlayer interactions of multilayer 2DCPs is crucial for modul...
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| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2025-06-01
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| Series: | SmartMat |
| Subjects: | |
| Online Access: | https://doi.org/10.1002/smm2.70019 |
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| Summary: | ABSTRACT Two‐dimensional conjugated polymers (2DCPs) have received great interest in smart devices due to their unique physical properties associated with flexibility, nanosized thickness, and correlated quantum size effect. Control of interlayer interactions of multilayer 2DCPs is crucial for modulating the confinement of charge carriers, heat, and photons to give remarkable properties because of the breaking of symmetry. However, to date, it is unclear how the multilayers of 2DCPs affect their physical properties. In this article, we for the first time perform a density functional theory calculation for the interlayer slipping effect on in‐plane electronic properties of few‐layer 2DCPs. Based on five homopolymers formed by C─C bonds with various stacking configurations beyond the inclined and serrated ones, results show that a moderate electric field causes the valence (conduction) band of few‐layer 2DCPs to exhibit distinctive electrical characteristics which are dominated by the outermost two layers on hole (electron) enriched side. Analysis based on recombined molecular orbitals reveals that band properties are sensitive to the interlayer offsets when they result from the interference among multiple orbitals from each building block. This result provides a new guideline for manipulating charge transfer and spintronic properties of few‐layer 2DCPs through an electric field to advance their various applications. |
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| ISSN: | 2688-819X |