Fluorenone as a Promising Material for Nanoelectronics: Electric Field Effects Investigated | ||
| Advances in Energy and Materials Research | ||
| دوره 1، شماره 3، آذر 2024، صفحه 4-12 اصل مقاله (673.56 K) | ||
| نوع مقاله: Research Article | ||
| شناسه دیجیتال (DOI): 10.22091/jaem.2025.10916.1013 | ||
| نویسندگان | ||
| Hamid Hadi* 1؛ Reza Safari* 2 | ||
| 1Department of Chemistry, Faculty of Sciences, University of Lorestan, Khorramabad, Iran. | ||
| 2Department of Chemistry, Faculty of Sciences, University of Qom, Qom, Iran. | ||
| چکیده | ||
| Fluorenone has attracted significant interest in nanoelectronics due to its promising electronic properties. This study investigates the effects of an electric field on fluorenone to evaluate its suitability for nanoelectronic applications using density functional theory (DFT) and Landauer theory. The electronic properties of fluorenone, including the energy gap, dipole moment, electron spatial extent (ESE), cohesive energy, and current-voltage characteristics, were systematically analyzed under varying electric field strengths. Results show that while cohesive energy and bond lengths remain largely unaffected, the energy gap decreases significantly with increasing electric field strength. Additionally, the dipole moment and ESE distribution increase substantially. The current-voltage profile exhibits a sharp rise in current with increasing field intensity, underscoring fluorenone’s potential as a strong material for field-effect molecular devices, such as molecular wires. These findings highlight fluorenone’s sensitivity to external electric fields, supporting its viability for advancing nanoelectronic technologies. This study provides critical insights into the tunability of fluorenone’s electronic properties, paving the way for its integration into next-generation nanoscale electronic systems. | ||
| کلیدواژهها | ||
| Fluorenone؛ Field effect؛ Nano wire؛ Landauer theory؛ I-V curve | ||
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