Piezoelectric materials have many potential applications, for example in sensors or in energy harvesting devices. Organic materials of particularly attractive, because they combine favorable properties, such as ease and low cost of fabrication and low mass density compared to many inorganic materials. However, rational design strategies for organic piezoelectric electric materials are still needed. In this contribution we present a first principles approach for the calculation of piezoelectric properties and systematically explore the design space for organic piezo-materials. We show that hydrogen bonding can give rise to significant piezoelectricity, and we expect that this is of potential interest throughout chemistry and biology due to the ubiquity of H-bonding.

Towards the rational design of organic piezoelectric materials

246th National Meeting (2013)

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