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Inverse Design of Structural Colours in Polymeric Films with Crystallization-Induced Reversible Thermochromism

Dong Yang, Heyi Liang*, Chengjie Zhang, Peipei Shao, Qin Li, Yun Huang, Yi Dan, Cheng Zeng, Rui-Tao Wen, Long Jiang*, Ming Xiao*

Nature Commun., 2025, 16(1), 10040.

Abstract:

Precisely controlling structural colours in polymeric materials remains a major challenge, with current approaches often relying on trial-and-error synthesis. Here, we develop a colour design model, enabling inverse design of structural colours in bottlebrush block copolymers (BBCPs). The model can quantitatively link BBCP molecular structures to macroscopic colours through the integration of a strong segregation self-consistent field theory model with a multilayer optical framework. We first validate its predictive capability by synthesising and assembling BBCPs with varied chain architectures to produce a full colour spectrum, and then demonstrate its generalisability to other BBCP chemistries. In addition, we observe reversible, nonlinear thermochromism in systems combining a crystalisable block with a soft, low–glass transition temperature segment, while similar BBCPs lacking this pairing show no such response. Our work establishes a predictive platform for designing structurally coloured, thermoresponsive polymeric materials and advances the rational engineering of photonic soft matter.

URL:

https://www.nature.com/articles/s41467-025-66015-0

* Corresponding authors


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