Elastic properties of hydrogenated graphene
By E. Cadelano, P. Palla, Stefano Giordano, Luigi Pietro Maria Colombo. 2010
454 citations recorded by the source corpus.
There exist three conformers of hydrogenated graphene, referred to as chair-, boat-, or washboard-graphane. These systems have a perfect two-dimensional periodicity mapped onto the graphene scaffold but they are characterized by a sp 3 orbital hybridization, have different crystal symmetry, and otherwise behave upon loading. By first-principles calculations we determine their structural and phonon properties, as well as we establish their relative stability. Through continuum elasticity we define a simulation protocol addressed to measure by a computer experiment their linear and nonlinear elastic moduli and we actually compute them by first principles. We argue that all graphane conformers respond to any arbitrarily oriented extension with a much smaller lateral contraction than the one calculated for graphene. Furthermore, we provide evidence that boat-graphane has a small and negative Poisson ratio along the armchair and zigzag principal directions of the carbon honeycomb lattice axially auxetic elastic behavior. Moreover, we show that chair-graphane admits both softening and hardening hyperelasticity, depending on the direction of applied load.
Subfields: Materials Chemistry, Mechanical Engineering
View Paper: https://www.semanticscholar.org/paper/09a5b2f1f60affcef01ee56f998693d89f8ae846
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In Materials Chemistry
In Mechanical Engineering
Citations in the corpus
- Nonlinear elasticity in nanostructured materials (2011, methodology): “The nonlinear elastic modulus D n for the C-graphane (as well as for any trigonal 2D lattice) is given by [106]”
- Probing the Young’s modulus and Poisson’s ratio in graphene/metal interfaces and graphite: a comparative study (2015, unknown): “[49] 0.”