Schottky Device Fabrication of Linear Dicarboxylato-Bridged Mn(II) and Co(II) Coordination Polymers: Experimental and Theoretical Insights

IF 3.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Crystal Growth & Design Pub Date : 2024-08-31 DOI:10.1021/acs.cgd.4c0081810.1021/acs.cgd.4c00818

Ersad Hossain, Ramjan Sk, Mainak Das, Partha Pratim Ray*, Antonio Frontera*, Mohammad Hedayetullah Mir* and Subrata Mukhopadhyay,

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Abstract

In this study, we report the syntheses of two new coordination polymers (CPs) of Mn(II) and Co(II), [Mn(4-avp)₂(adc)(H₂O)]·(solvent)_x (1) and [Co(4-avp)₂(adc)(CH₃OH)₂] (2), respectively, using relatively less explored linear linker acetylenedicarboxylic acid (H₂adc) and polyaromatic hydrocarbon (PAH)–based monodentate N-donor ligand 4-[2-(9-anthryl)vinyl]pyridine (4-avp). CP1 creates a two-dimensional (2D) structure in this instance, while CP2 is made up of a 1D chain polymer. It is of interest that CP1 and CP2 exhibit semiconducting behavior and behave as Schottky barrier diodes. However, CP1 exhibits higher conductivity and better Schottky diode formation when compared to CP2, which relates to the charge transportation through space via π···π interactions present in CP1. The experimental results are well validated by theoretical density functional theory (DFT) prediction based on band gap and density-of-state (DOS) calculations. It is noteworthy that fabrication of Mn/Co-based Schottky devices appears to be inadequate in the literature. Thus, this work showcases a new direction for the development of electronic device fabrication.

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线性二羧酸桥锰(II)和钴(II)配位聚合物的肖特基器件制造：实验和理论启示

在本研究中，我们报告了锰(II)和钴(II)的两种新型配位聚合物(CPs)的合成，它们分别是[Mn(4-avp)2(adc)(H2O)]-(溶剂)x (1)和[Co(4-avp)2(adc)(CH3OH)2](2)、分别使用了探索较少的线性连接体乙炔二甲酸（H2adc）和基于多芳烃（PAH）的单阳离子 N-配体 4-[2-(9-蒽基)乙烯基]吡啶（4-avp）。在这种情况下，CP1 形成了二维（2D）结构，而 CP2 则由一维链聚合物组成。值得注意的是，CP1 和 CP2 具有半导体特性，表现为肖特基势垒二极管。然而，与 CP2 相比，CP1 表现出更高的导电性和更好的肖特基二极管形成，这与通过 CP1 中的π---π 相互作用在空间进行电荷传输有关。基于带隙和状态密度（DOS）计算的理论密度泛函理论（DFT）预测很好地验证了实验结果。值得注意的是，基于锰/钴的肖特基器件的制造在文献中似乎并不充分。因此，这项工作为电子器件制造的发展展示了一个新的方向。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

期刊介绍： The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.