Stepwise Tuning the Mechanical Flexibility of 1D Coordination Polymer Single Crystals

04 July 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Mechanically flexible coordination polymers (CPs) represent new directions for advanced materials design. We herein report unprecedented complexity in the design of isostructural mechanically flexible CPs, with elastic, plastic, and delaminating properties. Ab initio simulations show how these properties can be rationalised by analysis of the simulated elastic tensor.

Supplementary materials

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Title
Stepwise Tuning the Mechanical Flexibility of 1D Coordination Polymer Single Crystals
Description
Mechanically flexible coordination polymers (CPs) represent new directions for advanced materials design. We herein report unprecedented complexity in the design of isostructural mechanically flexible CPs, with elastic, plastic, and delaminating properties. Ab initio simulations show how these properties can be rationalised by analysis of the simulated elastic tensor.
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