Fluorenone as a Promising Candidate for Nanoelectronics: Electric Field Effects Explored: computational approach

Document Type : Review Article

Authors

1 Department of Chemistry, Faculty of Sciences, University of Qom, Qom, Islamic Republic of Iran

2 Department of Chemistry, Physical Chemistry group, Lorestan University, Khorramabad, Iran

10.22091/jaem.2025.14884.1035

Abstract

Abstract: Fluorenone has garnered significant attention in nanoelectronics due to its promising electronic properties. This study investigates the effect of an electric field on fluorenone to assess its suitability for nanoelectronic applications using density functional theory (DFT) and Landauer theory (LT). The electronic properties of fluorenone were systematically analyzed under varying electric field strengths, focusing on the energy gap, dipole moment, electron spatial extent (ESE), cohesive energy, and current-voltage characteristics. Results reveal that while cohesive energy and bond length remain largely unaffected, the energy gap decreases notably under an applied electric field. Additionally, both the dipole moment and ESE distribution exhibit significant increases. The current-voltage profile demonstrates a sharp rise in current with increasing field intensity, emphasizing fluorenone’s potential as a strong candidate 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. The study provides critical insights into the tunability of fluorenone’s electronic properties, paving the way for its integration into next-generation nanoscale electronic systems.

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Main Subjects

Advances in Energy and Materials Research

Articles in Press, Accepted Manuscript
Available Online from 25 April 2026

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