Effect of counter anions on ferroelectric properties of diisopropylammonium-cation based molecular crystals

Chunli Jiang; Wen Yi Tong; Hechun Lin; Chunhua Luo; Hui Peng; Chun Gang Duan

doi:10.1002/pssa.201700029

Effect of counter anions on ferroelectric properties of diisopropylammonium-cation based molecular crystals

Chunli Jiang
, Wen Yi Tong
, Hechun Lin^*
, Chunhua Luo
, Hui Peng
, Chun Gang Duan

^*Corresponding author for this work

School of Physics and Electronic Science

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

Diisopropylammonium cation based single crystals with different counter anions (F⁻, Cl⁻, Br⁻, I⁻, NO^-₃, and CIO^-₄) were prepared. Their crystal structures and ferroelectric properties were investigated by single-crystal X-ray diffraction spectroscopy, differential scanning calorimetry, and dielectric measurements. The experimental results illustrate that the ferroelectric properties of diisopropylammonium-based single crystals are closely related to the electronegativity and structure of the counter anions. For monoatomic anions, higher electronegativity results in higher polarization and phase-transition temperature of the corresponding molecular–ionic ferroelectrics. The results of density-functional theory (DFT) calculations also support the experimental results.

Original language	English
Article number	e201700029
Journal	Physica Status Solidi (A) Applications and Materials Science
Volume	214
Issue number	6
DOIs	https://doi.org/10.1002/pssa.201700029
State	Published - 1 Jun 2017

Keywords

density-functional theory calculation
diisopropylamine
molecular ferroelectrics
polarization

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10.1002/pssa.201700029

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title = "Effect of counter anions on ferroelectric properties of diisopropylammonium-cation based molecular crystals",

abstract = "Diisopropylammonium cation based single crystals with different counter anions (F−, Cl−, Br−, I−, NO-3, and CIO-4) were prepared. Their crystal structures and ferroelectric properties were investigated by single-crystal X-ray diffraction spectroscopy, differential scanning calorimetry, and dielectric measurements. The experimental results illustrate that the ferroelectric properties of diisopropylammonium-based single crystals are closely related to the electronegativity and structure of the counter anions. For monoatomic anions, higher electronegativity results in higher polarization and phase-transition temperature of the corresponding molecular–ionic ferroelectrics. The results of density-functional theory (DFT) calculations also support the experimental results.",

keywords = "density-functional theory calculation, diisopropylamine, molecular ferroelectrics, polarization",

author = "Chunli Jiang and Tong, \{Wen Yi\} and Hechun Lin and Chunhua Luo and Hui Peng and Duan, \{Chun Gang\}",

note = "Publisher Copyright: {\textcopyright} 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim",

year = "2017",

month = jun,

day = "1",

doi = "10.1002/pssa.201700029",

language = "英语",

volume = "214",

journal = "Physica Status Solidi (A) Applications and Materials Science",

issn = "1862-6300",

publisher = "Wiley-VCH Verlag",

number = "6",

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TY - JOUR

T1 - Effect of counter anions on ferroelectric properties of diisopropylammonium-cation based molecular crystals

AU - Jiang, Chunli

AU - Tong, Wen Yi

AU - Lin, Hechun

AU - Luo, Chunhua

AU - Peng, Hui

AU - Duan, Chun Gang

PY - 2017/6/1

Y1 - 2017/6/1

N2 - Diisopropylammonium cation based single crystals with different counter anions (F−, Cl−, Br−, I−, NO-3, and CIO-4) were prepared. Their crystal structures and ferroelectric properties were investigated by single-crystal X-ray diffraction spectroscopy, differential scanning calorimetry, and dielectric measurements. The experimental results illustrate that the ferroelectric properties of diisopropylammonium-based single crystals are closely related to the electronegativity and structure of the counter anions. For monoatomic anions, higher electronegativity results in higher polarization and phase-transition temperature of the corresponding molecular–ionic ferroelectrics. The results of density-functional theory (DFT) calculations also support the experimental results.

AB - Diisopropylammonium cation based single crystals with different counter anions (F−, Cl−, Br−, I−, NO-3, and CIO-4) were prepared. Their crystal structures and ferroelectric properties were investigated by single-crystal X-ray diffraction spectroscopy, differential scanning calorimetry, and dielectric measurements. The experimental results illustrate that the ferroelectric properties of diisopropylammonium-based single crystals are closely related to the electronegativity and structure of the counter anions. For monoatomic anions, higher electronegativity results in higher polarization and phase-transition temperature of the corresponding molecular–ionic ferroelectrics. The results of density-functional theory (DFT) calculations also support the experimental results.

KW - density-functional theory calculation

KW - diisopropylamine

KW - molecular ferroelectrics

KW - polarization

UR - https://www.scopus.com/pages/publications/85016638632

U2 - 10.1002/pssa.201700029

DO - 10.1002/pssa.201700029

M3 - 文章

AN - SCOPUS:85016638632

SN - 1862-6300

VL - 214

JO - Physica Status Solidi (A) Applications and Materials Science

JF - Physica Status Solidi (A) Applications and Materials Science

IS - 6

M1 - e201700029

ER -

Effect of counter anions on ferroelectric properties of diisopropylammonium-cation based molecular crystals

Abstract

Keywords

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