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.
Effect of hydrogen coverage on the Young’s modulus of graphene
CADELANO, EMILIANO;COLOMBO, LUCIANO
2012-01-01
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.
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