Related Experiment Video
Updated: May 4, 2026
Resonance Raman Spectroscopy of Extreme Nanowires and Other 1D Systems
Published on: April 28, 2016
Electronic and magnetic structures of coronene-based graphitic nanoribbons
Acrísio Lins de Aguiar1, Aldilene Saraiva-Souza, Zachary Bullard
1Departamento de Física, Universidade Federal do Piauí, CEP 64049-550, Teresina, Piauí, Brazil. edu@ufpi.edu.br.
Abstract:
We study the electronic properties of a series of coronene-derived graphitic nanoribbons recently synthesized in a pre-programmed, nanotube assisted, chemical route [Talyzin et al. Nano Lett., 2011, 11, 4352 and Fujihara et al. J. Phys. Chem. C, 2012, 116, 15141]. We employ a combination of density functional theory and spin-polarized tight-binding methods to show how details of the molecular building blocks and their assembly uniquely determine the electronic structure of the resulting ribbon. We demonstrate the onset of multiple magnetic states for these systems and a non-trivial dependence of the electronic bandgap with both atomic structure and spin configuration, which make these coronene-based ribbons potential candidates for applications in nanoelectronics.
Related Concept Videos
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
02:18Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than...
01:25Nucleic Acid Structure
DNA Structure
DNA...
02:28Electronic Structure of Atoms
An atom comprises protons and neutrons, which are contained inside the dense, central core called the nucleus, with electrons present around the nucleus. Taking into account the wave–particle duality of electrons and the uncertainty in position around the nucleus, quantum mechanics provides a more accurate model for the atomic structure. It describes atomic orbitals as the regions around the nucleus where electrons of discrete energy exist, characterized by four quantum...