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Related Concept Videos

Radicals: Electronic Structure and Geometry01:07

Radicals: Electronic Structure and Geometry

This lesson delves into the geometry of a radical, which is influenced by the electronic structure of the molecule. The principle is similar to that of a lone pair, where the unpaired electron influences the geometry at the radical center.
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...
VSEPR Theory and the Effect of Lone Pairs04:01

VSEPR Theory and the Effect of Lone Pairs

Effect of Lone Pairs of Electrons on Molecule Geometry
Thermal Sigmatropic Reactions: Overview01:16

Thermal Sigmatropic Reactions: Overview

Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
Molecular Shapes01:18

Molecular Shapes

Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.
Two regions of electron density in a diatomic...
Newman Projections02:06

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.

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Related Experiment Video

Updated: May 17, 2026

Fabrication of Three-Dimensional Graphene-Based Polyhedrons via Origami-Like Self-Folding
14:52

Fabrication of Three-Dimensional Graphene-Based Polyhedrons via Origami-Like Self-Folding

Published on: September 23, 2018

Molecular rectification in triangularly shaped graphene nanoribbons.

Hongmei Liu1, Hongbo Wang, Jianwei Zhao

  • 1Key Laboratory of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210008, People's Republic of China.

Journal of Computational Chemistry
|October 20, 2012
PubMed
Summary
This summary is machine-generated.

We studied electron transport in triangular zigzag graphene nanoribbons (ZGNRs). These ZGNRs show significant electrical rectification, with current flowing more easily in one direction due to tunable band gaps.

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Fabrication of Gate-tunable Graphene Devices for Scanning Tunneling Microscopy Studies with Coulomb Impurities
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Fabrication of Gate-tunable Graphene Devices for Scanning Tunneling Microscopy Studies with Coulomb Impurities

Published on: July 24, 2015

Area of Science:

  • Condensed matter physics
  • Materials science
  • Nanotechnology

Background:

  • Graphene nanoribbons (GNRs) exhibit unique electronic properties.
  • Controlling electron transport in nanostructures is crucial for molecular electronics.

Purpose of the Study:

  • To investigate electron transport properties of tailored zigzag graphene nanoribbons (ZGNRs) with a triangular structure.
  • To understand the origin of rectification in these nanodevices.

Main Methods:

  • Theoretical study using density functional theory (DFT).
  • Nonequilibrium Green's function (NEGF) formalism applied to simulate electron transport.
  • Analysis of electronic states and band gap behavior under varying bias.

Main Results:

  • Significant electrical rectification observed in triangular ZGNRs.
  • A preferred electron transfer direction from vertex to the right edge was identified.
  • Rectification ratio of 8.4 achieved with single-thiol group anchoring.
  • Rectification is attributed to the bias-dependent band gap of the triangular ZGNR.

Conclusions:

  • Triangular ZGNRs exhibit promising characteristics for molecular electronic devices.
  • The intrinsic electronic states of the nanostructure, not anchoring groups, dictate rectification.
  • Further research can explore GNRs for tailored electronic functionalities.