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Chemically driven energetic molecular ferroelectrics

Yong Hu, Zhiyu Liu, Chi‐Chin Wu, Jennifer L. Gottfried, Rose A. Pesce‐Rodriguez, Scott D. Walck, Peter W. Chung, Shenqiang Ren

2021Nature Communications17 citationsDOIOpen Access PDF

Abstract

Abstract Chemically driven thermal wave triggers high energy release rate in covalently-bonded molecular energetic materials. Molecular ferroelectrics bridge thermal wave and electrical energy by pyroelectric associated with heating frequency, thermal mass and heat transfer. Herein we design energetic molecular ferroelectrics consisting of imidazolium cations (energetic ion) and perchlorate anions (oxidizer), and describe its thermal wave energy conversion with a specific power of 1.8 kW kg −1 . Such a molecular ferroelectric crystal shows an estimated detonation velocity of 7.20 ± 0.27 km s −1 comparable to trinitrotoluene and hexanitrostilbene. A polarization-dependent heat transfer and specific power suggests the role of electron-phonon interaction in tuning energy density of energetic molecular ferroelectrics. These findings represent a class of molecular ferroelectric energetic compounds for emerging energy applications demanding high power density.

Topics & Concepts

Materials scienceChemical physicsFerroelectricityDetonationThermalThermal energyTrinitrotolueneIonMolecular dynamicsPyroelectricityPower densityPhononEnergetic materialExplosive materialOptoelectronicsChemistryDielectricCondensed matter physicsPower (physics)ThermodynamicsComputational chemistryPhysicsOrganic chemistryEnergetic Materials and CombustionHigh-pressure geophysics and materialsDiamond and Carbon-based Materials Research
Chemically driven energetic molecular ferroelectrics | Litcius