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MohammadAlipour, Elnaz, Dideban, Daryoosh, Karamitaheri, Hossein. (1405). Thermoelectric Characterization of Armchair Graphene Nanoribbons under Mechanical Strain over a Wide Temperature Range: A Tight-Binding Computational Study. فیزیولوژی و بیوتکنولوژی آبزیان, (), -. doi: 10.22124/cse.2026.33788.1189
Elnaz MohammadAlipour; Daryoosh Dideban; Hossein Karamitaheri. "Thermoelectric Characterization of Armchair Graphene Nanoribbons under Mechanical Strain over a Wide Temperature Range: A Tight-Binding Computational Study". فیزیولوژی و بیوتکنولوژی آبزیان, , , 1405, -. doi: 10.22124/cse.2026.33788.1189
MohammadAlipour, Elnaz, Dideban, Daryoosh, Karamitaheri, Hossein. (1405). 'Thermoelectric Characterization of Armchair Graphene Nanoribbons under Mechanical Strain over a Wide Temperature Range: A Tight-Binding Computational Study', فیزیولوژی و بیوتکنولوژی آبزیان, (), pp. -. doi: 10.22124/cse.2026.33788.1189
MohammadAlipour, Elnaz, Dideban, Daryoosh, Karamitaheri, Hossein. Thermoelectric Characterization of Armchair Graphene Nanoribbons under Mechanical Strain over a Wide Temperature Range: A Tight-Binding Computational Study. فیزیولوژی و بیوتکنولوژی آبزیان, 1405; (): -. doi: 10.22124/cse.2026.33788.1189

Thermoelectric Characterization of Armchair Graphene Nanoribbons under Mechanical Strain over a Wide Temperature Range: A Tight-Binding Computational Study

Computational Sciences and Engineering
مقالات آماده انتشار، پذیرفته شده، انتشار آنلاین از تاریخ 28 مهر 1405
نوع مقاله: Original Article
شناسه دیجیتال (DOI): 10.22124/cse.2026.33788.1189
نویسندگان
Elnaz MohammadAlipour1؛ Daryoosh Dideban* 2؛ Hossein Karamitaheri3
1Institute of nanoscience and nanotechnology, University of Kashan, Kashan, Iran
2Department of Electrical and Computer Engineering
3Department of Electronics, Faculty of Electrical and Computer Engineering, University of Kashan, Kashan, Iran
چکیده
This work presents a comprehensive computational study on the thermoelectric evolution of armchair graphene nanoribbons (AGNRs), utilizing a nearest-neighbor Tight-Binding framework within the ballistic transport regime. A comparative analysis of electron transmission spectra for ribbon widths of n=6,7, and 8 identifies the width-8 topology as the optimal platform for strain-induced band engineering, primarily due to its intrinsic gapless metallic nature. Consequently, the research focuses on elucidating the temperature-dependent response (100–700 K) of this optimized width under uniaxial strain. By systematically optimizing the Fermi energy to maximize the power factor, we demonstrate that strain triggers a critical metal-to-semiconductor transition, effectively decoupling electronic thermal and electrical transport channels. A pivotal finding is the thermal modulation of this transition: while cryogenic temperatures (100 K) yield an instantaneous >60-fold enhancement in the electronic figure of merit (ZT_el) at 1% strain, elevated temperatures (700 K) require larger strain thresholds to overcome carrier thermal broadening. Most significantly, the data establishes a distinct electronic performance ceiling, where ZT_el converges to an intrinsic maximum of ≈4.5"-" 4.7 regardless of temperature, positioning strain-engineered 8-AGNRs as robust candidates for high-efficiency thermoelectric applications.
کلیدواژه‌ها
Armchair Graphene Nanoribbons؛ Strain Engineering؛ Thermoelectric Properties؛ Metal-Semiconductor Transition؛ Figure of Merit؛ Tight-Binding Model
آمار
تعداد مشاهده مقاله: 2


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