Rational design of one-dimensional hybrid organic-inorganic perovskites with room-temperature ferroelectricity and strong piezoelectricity

doi:10.1039/c9mh00230h

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Rational design of one-dimensional hybrid organic-inorganic perovskites with room-temperature ferroelectricity and strong piezoelectricity
	Yang, DB ; Luo, LH ; Gao, Y ; Chen, S ; Zeng, XC
刊名	MATERIALS HORIZONS
	2019
卷号	6 期号:7 页码:1463-1473
关键词	HIGHLY EFFICIENT
ISSN号	2051-6347
DOI	10.1039/c9mh00230h
文献子类	期刊论文
英文摘要	Rational design of ferroelectric/piezoelectric materials is still a big challenge due to our incomplete understanding of the underlying phase-transition mechanisms. Herein, by using first-principles calculations, three prototypes of one-dimensional (1D) hybrid organic-inorganic perovskites (HOIPs) as benchmarks are investigated, from which an approach to measure their ferroelectricity/piezoelectric-related key parameters is developed. Specifically, the ferroelectric transition temperature can be assessed by the computed energies and polarizations, and the piezoelectricity can be evaluated by the change of lattice parameters beta during the phase transition. Based on this computational approach, we have examined a series of organic cations to design new 1D HOIPs via conscious chemical modification. Among them, seven potential candidates with excellent ferroelectricity or piezoelectricity are identified, especially for two of them, trimethyl( 2,2,2-trifluoroethyl) ammonium trichloromanganese(II) (TMTFE-MnCl3) and diethylmethyl(2-fluoroethyl)ammonium trichloromanganese(II) (DEMFE-MnCl3). We predict that the TMTFE-MnCl3 and DEMFE-MnCl3 crystals outperform all previously reported 1D ferroelectric HOIPs in terms of high spontaneous polarization, high phase transition temperature, and strong piezoelectricity. The newly proposed design strategy for 1D HOIPs with room-temperature ferroelectricity or strong piezoelectricity can be validated for broader applications if both outstanding ferroelectric/piezoelectric perovskites can be synthesized and confirmed in the laboratory.
语种	英语
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/32178]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China; 2.Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA; 3.Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China; 4.Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA 5.Nanjing Univ, Inst Brain Sci, Nanjing 210023, Jiangsu, Peoples R China; 6.Nanjing Univ, Kuang Yaming Honors Sch, Nanjing 210023, Jiangsu, Peoples R China; 7.Nanjing Univ, Sch Chem & Chem Engn, Nanjing 210023, Jiangsu, Peoples R China;
推荐引用方式 GB/T 7714	Yang, DB,Luo, LH,Gao, Y,et al. Rational design of one-dimensional hybrid organic-inorganic perovskites with room-temperature ferroelectricity and strong piezoelectricity[J]. MATERIALS HORIZONS,2019,6(7):1463-1473.
APA	Yang, DB,Luo, LH,Gao, Y,Chen, S,&Zeng, XC.(2019).Rational design of one-dimensional hybrid organic-inorganic perovskites with room-temperature ferroelectricity and strong piezoelectricity.MATERIALS HORIZONS,6(7),1463-1473.
MLA	Yang, DB,et al."Rational design of one-dimensional hybrid organic-inorganic perovskites with room-temperature ferroelectricity and strong piezoelectricity".MATERIALS HORIZONS 6.7(2019):1463-1473.