Related Experiment Video
Updated: Apr 28, 2026

Fabrication of Gate-tunable Graphene Devices for Scanning Tunneling Microscopy Studies with Coulomb Impurities
Published on: July 24, 2015
Band-gap manipulations of monolayer graphene by phenyl radical adsorptions: a density functional theory study
Lin Huang1, Mahasin Alam Sk, Peng Chen
1School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 639798 (Singapore).
Abstract:
Phenyl radical (Ph˙) adsorption on monolayer graphene sheets is used to investigate the band-gap manipulation of graphene through density functional theory. Adsorption of a single Ph˙ on graphene breaks the aromatic π-bond and generates an unpaired electron, which is delocalized to the ortho or para position. Adsorption of a second radical at the ortho or para position saturates the radical by electron pairing and results in semiconducting graphene. Adsorption of a second radical at the ortho position (ortho-ortho pairing) is found to be more favorable than adsorption at the para position (ortho-para pairing), and the ortho-ortho pairing has stronger effects on band-gap opening compared with ortho-para pairing. Adsorption of even numbers of Ph˙ on graphene by ortho-ortho and ortho-para pairings, in general, increases the band gap. Our study shows promise of band-gap manipulation in monolayer graphene by Ph˙ adsorption, leading to potential wider applications of graphene.
More Related Videos
13:56Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
10:34Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow
Published on: April 24, 2014
Related Concept Videos
Adsorption of Gases on Solids
Radicals: Electronic Structure and Geometry
Accordingly, the structure of a trivalent radical lies between the geometries of carbocations and carbanions. An sp2-hybridized carbocation is trigonal planar, while an sp3-hybridized carbanion is trigonal pyramidal. Here, the difference in geometry is...
Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals
Radical Formation: Addition
Similar to charge conservation in chemical reactions, spin conservation is implicit for radical reactions. Accordingly, the product formed must possess an...
Adsorption Isotherms II
Adsorption Isotherms I