Thermomechanical properties of spiro-graphene nanosheets: NEMD study on geometry, temperature, defects, and layering effects

Key Points

• Thermomechanical properties vary significantly with temperature and geometry, highlighting critical interactions.
• Molecular dynamics simulation demonstrates alterations due to defects and layering, with a focus on structural integrity.
• Observational analysis using non-equilibrium molecular dynamics reveals relationships between properties and nanosheet design.
• Findings imply potential applications in advanced materials, yet further experimental validation is necessary.