Jump to main content
Jump to site search


Weak C–H⋯F–C hydrogen bonds make a big difference in graphane/fluorographane and fluorographene/fluorographane bilayers

Author affiliations

Abstract

Using density functional theory computations with van der Waals (vdW) corrections, we reveal that C–H⋯F–C hydrogen bonding exists in graphane/fluorographene and fluorographane/fluorographane bilayers. The significant C–H⋯F–C hydrogen bonding is strong enough to combine two separate monolayers to form the bilayer. Interestingly, both the graphane/fluorographene and fluorographane/fluorographane bilayers are metallic in the most stable stacking configuration. Applying a perpendicular electric field can effectively open a bandgap for both bilayers, and we found that the field-induced gap opening for both graphane/fluorographene and fluorographane/fluorographane bilayers can be enhanced by biaxial tensile strain. These results are expected to aid in the design of novel electronic and optoelectronic devices based on graphene materials, and they highlight the use of weak interactions for modulating band structures in two-dimensional materials.

Graphical abstract: Weak C–H⋯F–C hydrogen bonds make a big difference in graphane/fluorographane and fluorographene/fluorographane bilayers

Back to tab navigation

Publication details

The article was received on 06 Jul 2017, accepted on 25 Sep 2017 and first published on 12 Oct 2017


Article type: Paper
DOI: 10.1039/C7CP04535B
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
  •   Request permissions

    Weak C–H⋯F–C hydrogen bonds make a big difference in graphane/fluorographane and fluorographene/fluorographane bilayers

    M. Sun, J. Chou, Y. Zhao, J. Yu and W. Tang, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP04535B

Search articles by author

Spotlight

Advertisements