Graphene on Ir(111): Physisorption with Chemical Modulation

Graphene on Ir(111): physisorption with chemical modulation.

The nonlocal van der Waals density functional approach is applied to calculate the binding of graphene to Ir(111). The precise agreement of the calculated mean height h = 3.41  Å of the C atoms with their mean height h = (3.38±0.04)  Å as measured by the x-ray standing wave technique provides a benchmark for the applicability of the nonlocal functional. We find bonding of graphene to Ir(111) to...

Large physisorption strain in chemical vapor deposition of graphene on copper substrates.

Graphene single layers grown by chemical vapor deposition on single crystal Cu substrates are subject to nonuniform physisorption strains that depend on the orientation of the Cu surface. The strains are revealed in Raman spectra and quantitatively interpreted by molecular dynamics (MD) simulations. An average compressive strain on the order of 0.5% is determined in graphene on Cu(111). In grap...

Physisorption of nucleobases on graphene: density-functional calculations

S. Gowtham,1 Ralph H. Scheicher,1,2,*,† Rajeev Ahuja,2,3 Ravindra Pandey,1,*,‡ and Shashi P. Karna4 1Department of Physics and Multi-Scale Technologies Institute, Michigan Technological University, Houghton, Michigan 49931, USA 2Condensed Matter Theory Group, Department of Physics, Box 530, Uppsala University, S-751 21 Uppsala, Sweden 3Applied Materials Physics, Department of Materials and Engi...

Electrical Probing and Tuning of Molecular Physisorption on Graphene.

The ability to tune the molecular interaction electronically can have profound impact on wide-ranging scientific frontiers in catalysis, chemical and biological sensor development, and the understanding of key biological processes. Despite that electrochemistry is routinely used to probe redox reactions involving loss or gain of electrons, electrical probing and tuning of the weaker noncovalent...

Modulation of mechanical resonance by chemical potential oscillation in graphene