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

TL;DR

This study combines continuum elasticity and first principles calculations to investigate how hydrogen coverage affects the Young modulus of graphene, revealing reduced stiffness and anisotropic behavior in hydrogenated samples.

Contribution

It introduces a computational approach integrating elasticity theory and first principles calculations to analyze hydrogenated graphene's mechanical properties.

Findings

Hydrogenation reduces the Young modulus of graphene.

The Young modulus varies with loading direction in certain conformers.

Hydrogenated graphene exhibits anisotropic elastic behavior.

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.