The role of contact angle in the surface adsorption of polyaromatic hydrocarbons: the structure and dynamics of buckybowls on graphite
We propose to investigate the role of contact angle in surface adsorption and bonding of polyaromatic hydrocarbons (PAH). Buckybowl (corannulene) is the smallest PAH with a curved electron density isosurface. While the dynamics of flat PAHs has been investigated previously, very little information about the structure and dynamics of surface adsorbed buckybowls is available. Here, we propose to carry out neutron spin echo and diffraction measurements that will complement both our DFT calculations and scheduled fast dynamical measurements of the system. The measurements will provide bench-mark data for the diffusion of buckybowls on graphitic substrates, and the role of the curvature and contact angle in comparison to flat PAHs. Buckybowls show wider potential for application in nanotechnology and supramolecular chemistry than many other PAHs, further motivating the need for a thorough understanding of the effects of their curved geometry on their interaction with surfaces.
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HEDGELAND Holly; FOUQUET Peter; Thomas C. Hansen; Marco Sacchi; TAMTOEGL Anton; TRAEGER Franziska and TRUSCOTT Chris. (2018). The role of contact angle in the surface adsorption of polyaromatic hydrocarbons: the structure and dynamics of buckybowls on graphite. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-05-483
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