Molecular dynamics study of polymeric photoactuators: coupling between photochemical reaction and polymer relaxation
Open Access
- 15 October 2025
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 27 (44) , 23669-23684
Abstract
Molecular dynamics simulations provide insight into the mutual interaction between a photochrome, azobenzene, during photoisomerization, and its surrounding polymer matrix. It is a first step in understanding photonastic materials.Keywords
Funding Information
- Agence Nationale de la Recherche (ANR-21-CE50-0023)
This publication has 39 references indexed in Scilit:
- Easy Processable Photomechanical Thin Film Involving a Photochromic Diarylethene and a Thermoplastic Elastomer in Supramolecular InteractionSmall, 2024
- Mechanical Effect Produced by Photo‐Switchable Reactions: Insights from Molecular SimulationsMacromolecular Theory and Simulations, 2024
- Smart molecular crystal switchesSmart Molecules, 2024
- Cooperative Photochemical Reaction Kinetics in Organic Molecular CrystalsChemistry – A European Journal, 2023
- Light‐Responsive Shape‐Changing PolymersAdvanced Optical Materials, 2019
- Absorption spectra of azobenzenes simulated with time‐dependent density functional theoryInternational Journal of Quantum Chemistry, 2011
- An Acid–Base‐Controllable [c2]Daisy ChainAngewandte Chemie International Edition, 2008
- Photomobile Polymer Materials: Towards Light‐Driven Plastic MotorsAngewandte Chemie International Edition, 2008
- Development and testing of a general amber force fieldJournal of Computational Chemistry, 2004
- Force and virial of torsional‐angle‐dependent potentialsJournal of Computational Chemistry, 1995