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07:03
Measuring Magnetically-Tuned Ferroelectric Polarization in Liquid Crystals
Published on: August 15, 2018
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Diisopropylammonium Bromide Based Two-Dimensional Ferroelectric Monolayer Molecular Crystal with Large In-Plane
Liang Ma1,2, Yinglu Jia1, Stephen Ducharme3
1Department of Chemistry, Nebraska Center for Materials and Nanoscience , University of Nebraska-Lincoln , Lincoln , Nebraska 68588 , United States.
Journal of the American Chemical Society
|January 12, 2019
Summary
Researchers developed two-dimensional (2D) ferroelectric molecular crystals for advanced applications. These flexible, lightweight materials exhibit large spontaneous polarization (Ps) and maintain ferroelectricity at room temperature.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Crystallography
Background:
- Ferroelectric molecular crystals are desirable for applications due to their processing ease, light weight, and mechanical flexibility.
- Large spontaneous polarization (Ps) is a key property for advanced ferroelectric applications.
- Existing ferroelectric materials often face challenges in processing and mechanical integration.
Purpose of the Study:
- To theoretically investigate the potential of two-dimensional (2D) ferroelectric molecular crystals.
- To explore the feasibility of achieving large in-plane spontaneous polarization in 2D molecular crystals.
- To understand the role of hydrogen bonds and substrate support on ferroelectric properties.
Main Methods:
- Ab initio calculations were employed to study the electronic and structural properties of 2D ferroelectric molecular crystals.
- Ab initio molecular dynamics simulations were used to assess the thermal stability of the ferroelectric order.
- The study focused on diisopropylammonium bromide (DIPAB) based monolayers and related halide crystals.
Main Results:
- A 2D ferroelectric monolayer molecular crystal based on diisopropylammonium bromide (DIPAB) was theoretically achieved with a large in-plane spontaneous polarization (Ps) of approximately 1.5 × 10-6 μC cm-1.
- The study identified the crucial role of hydrogen bonds in stabilizing the ferroelectric properties.
- Ferroelectric order in the 2D DIPAB monolayer was found to be stable at room temperature when supported by a graphene substrate.
Conclusions:
- The theoretical design of 2D all-organic ferroelectric monolayer singular molecular crystals with significant in-plane Ps is feasible.
- Diisopropylammonium halide molecular crystals offer a promising platform for developing next-generation flexible ferroelectric materials.
- These findings pave the way for novel electronic and optoelectronic devices utilizing 2D ferroelectric materials.
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