Conducting Polymer Actuator Mechanism Based on the Conformational Flexibility of Calix[4]arene

Contracted out: Quantum mechanical calculations and classical molecular dynamics simulations have been used to investigate the actuation mechanism of a substituted poly(calix[4]arene quaterthiophene). The results show that electrostatic repulsions between the charged atoms of the calix[4]arene scaffolds in the oxidized-deprotonated species induce a drastic contraction of the electrochemically activated polymer molecules.