Functional Groups Assisted Tunable Dielectric Permittivity of Guest‐Free Zn‐Based Coordination Polymers for Gate Dielectrics

电介质 材料科学 介电常数 聚合物 密度泛函理论 高-κ电介质 栅极电介质 极性效应 化学物理 计算化学 物理化学 化学 有机化学 光电子学 电气工程 复合材料 电压 工程类 晶体管
作者
Kuang‐Lieh Lu,Saqib Kamal,Arif I. Inamdar,Kuan Ru Chiou,Batjargal Sainbileg,Muhammad Usman,J.W. Chen,Tzuoo‐Tsair Luo,M. Hayashi,Chen‐Hsiung Hung,Wen‐Feng Liaw
出处
期刊:Chemistry: A European Journal [Wiley]
卷期号:28 (30) 被引量:2
标识
DOI:10.1002/chem.202103905
摘要

The dielectric properties of coordination polymers has been a topic of recent interest, but the role of different functional groups on the dielectric properties of these polymers has not yet been fully addressed. Herein, the effects of electron-donating (R=NH2 ) and electron-withdrawing (R=NO2 ) groups on the dielectric behavior of such materials were investigated for two thermally stable and guest-free Zn-based coordination polymers, [Zn(L1 )(L2 )]n (1) and [Zn(L1 )(L3 )]n (2) [L1 =2-(2-pyridyl) benzimidazole (Pbim), L2 =5-aminoisophthalate (Aip), and L3 =5-nitroisophthalate (Nip)]. The results of dielectric studies of 1 revealed that it possesses a high dielectric constant (κ=65.5 at 1 kHz), while compound 2 displayed an even higher dielectric constant (κ=110.3 at 1 kHz). The electron donating and withdrawing effects of the NH2 and NO2 substituents induce changes in the polarity of the polymers, which is due to the inductive effect from the aryl ring for both NO2 and NH2 . Theoretical results from density functional theory (DFT) calculations, which also support the experimental findings, show that both compounds have a distinct electronic behavior with diverse wide bandgaps. The significance of the current work is to provide information about the structure-dielectric property relationships. So, this study promises to pave the way for further research on the effects of different functional groups on coordination polymers on their dielectric properties.
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