Mr. Devin M. Mulvey

I am a third year graduate student researcher in Kenneth D. Jordan's group at the University of Pittsburgh.
Currently, my research uses the molecular properties of polycyclic aromatic hydrocarbons (PAHs) to inform the development of force fields for water-PAH clusters and the non-valence correlation bound (NVCB) anions of PAHs. Using water-PAH clusters as finite molecular analogs in a cluster extrapolation technique, I study the binding of water on graphene. Additionally, PAHs are capable of binding diffuse anions, dubbed NVCB, stabilized by a long-range dispersion-type correlation that is reminiscent of the attractive self-induced potential responsible for binding image potential states (IPS) on carbon nanoflakes and graphene. To better understand the connection between the NVCB states of PAHs and IPS of carbon nanoflakes and graphene, I use a one-electron model Hamiltonian approach parameterized on electronic structure results.