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Advanced Self-Healing Asphalt Reinforced by Graphene Structures: An Atomistic Insight
Published on: May 31, 2022
From aromaticity to self-organized criticality in graphene
Dmitry Yu Zubarev1, Michael Frenklach, William A Lester
1Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720-1460, USA.
Physical Chemistry Chemical Physics : PCCP
|August 9, 2012
Summary
Graphene
Area of Science:
- Condensed matter physics
- Materials science
- Quantum chemistry
Background:
- Graphene's unique properties stem from its electronic structure, particularly electron delocalization.
- Traditional models of aromatic bonding may not fully capture graphene's delocalization.
- Understanding delocalization is key to controlling graphene's observable properties.
Purpose of the Study:
- To expand the understanding of electron delocalization in graphene.
- To investigate the relationship between electronic structure modifications and physical responses.
- To identify novel bonding mechanisms in finite-size graphene systems.
Main Methods:
- Computational modeling of graphene's π-electron system.
- Analysis of interatomic distance relaxation.
- Investigation of scale-invariant responses and self-organized criticality.
Main Results:
- Graphene exhibits a scale-invariant response in interatomic distance relaxation upon π-electron system modification.
- Self-organized criticality is identified as a mechanism for delocalized bonding in graphene.
- Graphene belongs to a class of systems where complexity emerges from simple local interactions.
Conclusions:
- The traditional view of delocalization in graphene requires expansion beyond aromatic bonding frameworks.
- Self-organized criticality offers a new perspective on delocalized bonding in graphene.
- Emergent complexity in graphene influences its chemical activity, electron transport, and spin-polarization.
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