Exploring the electronic and thermoelectric properties of zigzag and armchair edge Irida-Graphene nanoribbons

IF 2.2 4区工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC

Journal of Computational Electronics Pub Date : 2024-12-11 DOI:10.1007/s10825-024-02263-5

Reza Kalami, Seyed Ahmad Ketabi

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Abstract

Electronic and thermoelectric properties of Irida-Graphene nanoribbons (IGNRs) are significantly influenced by their edge configurations. This article presents a comprehensive computational study of the band structure, density of states (DOS), transmission function, and current–voltage (I-V) characteristics of zigzag and armchair edge IGNRs. Zigzag edge IGNRs (ZIGNRs) exhibit localized edge states, which introduce a Dirac point at the Fermi level, contributing to metallic behavior and enhancing the Seebeck coefficient. In contrast, armchair edge IGNRs (AIGNRs) show semiconducting behavior with a bandgap of approximately 2.4 eV. The thermoelectric performance of ZIGNRs is superior, with a higher Seebeck coefficient and electronic figure of merit (ZT_e) compared to AIGNRs. The maximum Seebeck coefficient for ZIGNRs is about 7 μV/K, while for AIGNRs, it is about 1.5 μV/K. The ZT_e for ZIGNRs is approximately 0.007, and for AIGNRs, it is about 0.005. These findings provide valuable insights into the design and optimization of IGNRs for advanced thermoelectric and electronic applications.

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来源期刊

Journal of Computational Electronics ENGINEERING, ELECTRICAL & ELECTRONIC-PHYSICS, APPLIED

CiteScore

4.50

自引率

4.80%

发文量

142

审稿时长

>12 weeks

期刊介绍： he Journal of Computational Electronics brings together research on all aspects of modeling and simulation of modern electronics. This includes optical, electronic, mechanical, and quantum mechanical aspects, as well as research on the underlying mathematical algorithms and computational details. The related areas of energy conversion/storage and of molecular and biological systems, in which the thrust is on the charge transport, electronic, mechanical, and optical properties, are also covered. In particular, we encourage manuscripts dealing with device simulation; with optical and optoelectronic systems and photonics; with energy storage (e.g. batteries, fuel cells) and harvesting (e.g. photovoltaic), with simulation of circuits, VLSI layout, logic and architecture (based on, for example, CMOS devices, quantum-cellular automata, QBITs, or single-electron transistors); with electromagnetic simulations (such as microwave electronics and components); or with molecular and biological systems. However, in all these cases, the submitted manuscripts should explicitly address the electronic properties of the relevant systems, materials, or devices and/or present novel contributions to the physical models, computational strategies, or numerical algorithms.