Inserting auxeticity into graphene oxide via bottom-up strategy

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• High demand exists for carbon-based materials with wide bandgaps, superior mechanical performance, thermal stability, and tunable properties.
• Auxeticity, a property where materials exhibit a negative Poisson's ratio, enhances mechanical performance.

Purpose of the Study:

• To propose novel, stable, layered carbon-based materials with auxetic properties.
• To investigate the underlying mechanism responsible for the auxetic behavior and its impact on material properties.
• To explore the potential applications of these materials in nanoelectronics.

Main Methods:

• Theoretical investigation of two proposed layered carbon allotropes: α-C2O and β-C2O.
• Analysis of electronic structure and bonding characteristics, focusing on modified p-orbitals.
• Evaluation of mechanical properties, including the negative Poisson's ratio effect.
• Assessment of thermal stability and dielectric properties.

Main Results:

• Discovery of two stable layered carbon materials, α-C2O and β-C2O.
• Induction of a multi-directional negative Poisson's ratio (NPR) effect due to interfacial layer interactions via modified p-orbitals.
• Materials exhibit ultrawide bandgap semiconducting properties comparable to diamond.
• Exceptional thermodynamic stability demonstrated, with α-BK-C2O stable above 2000 K.

Conclusions:

• The proposed carbon-based layered materials possess unique auxeticity and ultrawide bandgaps.
• These materials exhibit excellent mechanical and thermal properties, making them promising candidates for advanced applications.
• Potential applications include nanoelectronics, particularly in electromechanical devices, due to their combined properties.