Jerzy Bernholc Contact BERNHOLCJ@ORNL.GOV All Publications Deposition temperature-mediated growth of helically shaped polymers and chevron-type graphene nanoribbons from a fluorinated precursor On-surface cyclodehydrogenation reaction pathway determined by selective molecular deuterations Study of Anharmonicity in Zirconium Hydrides Using Inelastic Neutron Scattering and Ab-Initio Computer Modeling Engineering Edge States of Graphene Nanoribbons for Narrow-Band Photoluminescence Ab initio investigation of the cyclodehydrogenation process for polyanthrylene transformation to graphene nanoribbons Step edge-mediated assembly of periodic arrays of long graphene nanoribbons on Au(111) Direct Writing of Heterostructures In Single Atomically Precise Graphene Nanoribbons Controllable conversion of quasi-freestanding polymer chains to graphene nanoribbons Controllable conversion of quasi-freestanding polymer chains to graphene nanoribbons Edge States and Optical Transition Energies in Carbon Nanoribbons... Recent developments and applications of the real-space multigrid method Equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations Effects of end group functionalization and level alignment on electron transport in molecular devices...
