The effect of the hydrogen coverage on the Young modulus of graphene

Abstract

We blend together continuum elasticity and first principles calculations to measure by a computer experiment the Young modulus of hydrogenated graphene. We provide evidence that hydrogenation generally leads to a much smaller longitudinal extension upon loading than in pristine graphene. Furthermore, the Young modulus is found to depend upon the loading direction for some specific conformers, characterized by an anisotropic linear elastic behavior.

References in corpus (6)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Control of graphene's properties by reversible hydrogenation
• Graphane: a two-dimensional hydrocarbon
• Hydrogen on graphene: Electronic structure, total energy, structural distortions, and magnetism from first-principles calculations
• Elastic properties of hydrogenated graphene
• Nonlinear elasticity of monolayer graphene

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