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Updated: May 30, 2026

Development and Functionalization of Electrolyte-Gated Graphene Field-Effect Transistor for Biomarker Detection
Published on: February 1, 2022
Electronic properties of metal-arene functionalized graphene
Paul Plachinda1, David R Evans, Raj Solanki
1Department of Physics, Portland State University, 1719 SW 10th Avenue, Portland, Oregon 97207-0751, USA. plachind@pdx.edu
Abstract:
We have employed first-principles density-functional calculations to study the electronic characteristics of covalently functionalized graphene by metal-bis-arene chemistry. It is shown that functionalization with M-bis-arene (M = Ti, V, Cr, Mn, Fe) molecules leads to an opening in the bandgap of graphene (up to 0.81 eV for the Cr derivative), and as a result, transforms it from a semimetal to a semiconductor. The bandgap induced by attachment of a metal atom topped by a benzene ring is attributed to modification of π-conjugation and depends on the concentration of functionalizing molecules. This approach offers a means of tailoring the band structure of graphene and potentially its applications for future electronic devices.
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