Enhancement of Chemical Activity in Corrugated Graphene

By D. Boukhvalov, M. Katsnelson. 2009

214 citations recorded by the source corpus.

Simulation of the chemical activity of corrugated graphene within density functional theory predicts an enhancement of its chemical activity if the ratio of height of the corrugation (ripple) to its radius is larger than 0.07. Further growth of the curvature of the ripples results in the appearance of midgap states which leads to an additional strong increase of chemisorption energy. These results open a way for tunable functionalization of graphene; namely, depending on the curvature of the ripples, one can provide both homogeneous (for small curvatures) and spot-like (for large curvatures) functionalization.

Subfields: Biomedical Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/65f56d467b2e313bc693f683efc224bf1a099421

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In Biomedical Engineering

In Materials Chemistry

Citations in the corpus

Functionalized graphene materials for hydrogen storage (2020, background): “[58] Boukhvalov DW, Katsnelson MI (2009) Enhancement of”
The influence of thermal annealing to remove polymeric residue on the electronic doping and morphological characteristics of graphene (2013, background): “…which is attributed to a combination of increased water contact on CVD graphene stemming from the interfacial graphene–substrate water layer [43] [44] [45] following the wet transfer method and greater high aspect-ratio ripples which may enhance the adsorption of atmospheric hole dopants [43] [46].”
Spin-half paramagnetism in graphene induced by point defects (2011, background): “However, we recall that fluorine atoms on graphene have a strong tendency towards clustering because of low migration barrier”
Graphene, related two-dimensional crystals, and hybrid systems for energy conversion and storage (2015, background): “It was theoretically (137) and experimentally shown (134) that the hydrogen affinity is enhanced on the convex areas and reduced on the concave areas of rippled graphene.”