Regulating electrical conductivity and Schottky nature of d10 metal ion-based nanoarchitectonics in coordination polymers†

IF 2.6 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

CrystEngComm Pub Date : 2024-10-28 DOI:10.1039/D4CE00901K

Manik Shit, Pubali Das, Arnab Samanta, Basudeb Dutta, Mainak Das, Sourav Roy, Chittaranjan Sinha, Partha Pratim Ray and Mohammad Hedayetullah Mir

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Abstract

Coordination polymers (CPs) with high electrical conductivity have potential applications in electronic devices, sensors and energy storage systems. Herein, we present a Cd(II)-based two-dimensional (2D) CP [Cd₂(adp)₂(4-nvp)₄(H₂O)]·(H₂O)₇ [CP1; H₂adp = adipic acid and 4-nvp = 4-(1-naphthylvinyl)pyridine] and a Zn(II) based one-dimensional (1D) CP [Zn₂(adp)(4-nvp)₂(H₂O)(μ₃-OH)]·(H₂O)·(NO₃) (CP2) that exhibit electrical conductivity in the semiconducting regime and create a Schottky barrier diode (SBD) at the metal–semiconductor (MS) junction. However, CP1 shows higher conductivity as compared to CP2, which relates to the better orbital overlap of larger Cd(II) ions in CP1, providing a conjugation pathway for potent charge transport. These results are well-validated by theoretical prediction via density functional theory (DFT) computation based on band gap calculation. Such materials with semiconducting properties may pave the way for the fabrication of electronic and optoelectronic devices.

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调节配位聚合物中基于 d10 金属离子的纳米架构的导电性和肖特基性质†。

具有高导电性的配位聚合物（CPs）在电子设备、传感器和储能系统中具有潜在的应用价值。在此，我们介绍一种基于镉（II）的二维（2D）CP [Cd2(adp)2(4-nvp)4(H2O)]-(H2O)7 [CP1；H2adp=己二酸，4-nvp=4-(1-萘乙烯基)吡啶]和基于锌（II）的一维（1D）氯化石蜡[Zn2(adp)(4-nvp)2(H2O)(μ3-OH)]-(H2O)-(NO3)（CP2）在半导体体系中表现出导电性，并在金属-半导体（MS）交界处形成肖特基势垒二极管（SBD）。不过，与 CP2 相比，CP1 显示出更高的导电性，这与 CP1 中较大的镉（II）离子具有更好的轨道重叠有关，为有效的电荷传输提供了共轭途径。通过基于带隙计算的密度泛函理论（DFT）进行理论预测，这些结果得到了很好的验证。这种具有半导体特性的材料可为电子和光电器件的制造铺平道路。

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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