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Graphyne-Derived C12-GR and C16-GY as Potential Nanocapacitor Materials
K Jacques Kotoko1, Delchere Don-Tsa1, Komi Sodoga1,2
1Physics Department, Laboratoire de Physique des Matériaux et des Composants à Semi-Conducteurs (LPMCS), University of Lomé, Lomé 01BP1515, Togo.
ACS Omega
|July 24, 2026
Summary
Mechanically reconstructed graphyne (GY) derivatives, C12-GR and C16-GY, show promise for energy storage. These novel carbon allotropes exhibit significant electrostatic energy storage capabilities, comparable to existing carbon-based nanocapacitors.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Graphyne (GY)-derived carbon allotropes, including C12-GR and C16-GY, are novel 2D materials with unique bonding.
- These materials were recently predicted via mechanically induced reconstruction pathways.
Purpose of the Study:
- Investigate the structural, electronic, optical, and energy storage properties of C12-GR and C16-GY.
- Evaluate their potential for nanoscale electrostatic energy storage and nanoelectronic applications.
Main Methods:
- Utilized first-principles calculations to study monolayer and bilayer configurations.
- Analyzed electronic band structures, dielectric screening, optical absorption, and response to electric fields.
Main Results:
- Both C12-GR and C16-GY exhibit semi-metallic behavior with strong dielectric screening and broadband optical absorption.
- C16-GY shows enhanced electronic polarizability and density of states near the Fermi level.
- Bilayer systems demonstrate reversible charge accumulation and significant electrostatic energy storage, with gravimetric capacitance exceeding 100 F/g.
Conclusions:
- Mechanically reconstructed graphyne derivatives offer promising platforms for nanoscale electrostatic energy storage.
- Their properties suggest potential for advanced nanoelectronic devices.
- These novel carbon allotropes represent a new frontier in materials for energy applications.
