Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications Controllable stacked disk morphologies of charged diblock copolymers... An Assessment of Density Functional Methods for Potential Energy Curves of Nonbonded Interactions: The XYG3 and B97-D Approxi... Structure and charging kinetics of electrical double layers at large electrode voltage... Spin Polarized Conductance in Hybrid Graphene Nanoribbons Using 5-7 Defects... Bright Photoluminescence from the Inner Tubes of Peapod-Derived Double-Walled Carbon Nanotubes... New Insight into Carbon Nanotube Electronic Structure Selectivity... Ab initio Study of the Structural, Tautomeric, Pairing and Electronic Properties of Seleno-Derivatives of Thymine... Effect of polymer-filler interaction strengths on the thermodynamic and dynamic properties of polymer nanocomposites... The importance of defects for carbon nanoribbon based electronics... Benzotrifuranone: Synthesis, Structure, and Access to Polycyclic Heteroaromatics... Synthesis, electronic structure, and Raman scattering of phosphorous-doped single-wall carbon nanotubes... Assessment of Standard Force Field Models against High-Quality ab initio Potential Curves for Prototypes of pi-pi, CH/pi, and... Electronic transport and mechanical properties of phosphorus and phosphorus-nitrogen doped carbon nanotubes... Controlled Formation of Zigzag and Armchair Edges in Graphene Nanoribbons by Joule Heating... The Role of Sulfur in the Synthesis of Novel Carbon Morphologies: From Covalent Y-junctions to Sea Urchin-like Structures... A universal model for nanoporous carbon supercapacitors... Properties of one-dimensional molybdenum nanowires in a confined environment... A theoretical and experimental study on manipulating the structure and properties of carbon nanotubes using substitutional do... A Single Molecule Rectifier with Strong Push-Pull Coupling... Theoretical Model for Nanoporous Carbon Supercapacitors... Theoretical Study on the Factors Controlling the Stability of the Borate Complexes of Ribose, Arabinose, Lyxose and Xylose... Morphology and dynamics of polymer nanocomposites for varying polymer filler interactions... Optimizing the Electronic Properties of Carbon Nanotubes using Amphoteric Doping... Links between through-bond interactions and assembly structure in simple piperidones ... Electrical Rectification in Betaine Derivatives... Pagination First page « First Previous page ‹‹ … Page 17 Current page 18 Page 19 … Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID Organizations Physical Sciences Directorate User Facilities Center for Nanophase Materials Sciences Theory & Computation Section Nanomaterials Theory Institute Group Data NanoAnalytics Group