Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications Insights obtained from modeling of organic photovoltaics: morphology, interfaces and coupling with charge transport... Elastic, plastic, and fracture mechanisms in graphene materials... Alloy Engineering of Defect Properties in Semiconductors: Suppression of Deep Levels in 2D Transition-metal Dichalcogenides... Observation of two distinct negative trions in tungsten disulfide monolayers... Peculiarity of Two Thermodynamically-Stable Morphologies and Their Impact on the Efficiency of Small Molecule Bulk Heterojunc... Nitrogen Doping Enables Covalent-Like pi-pi Bonding between Graphenes... Van der Waals Epitaxial Growth of Single-Crystal Two-Dimensional GaSe on Graphene ... Electronic properties of bilayer graphenes strongly coupled to interlayer stacking and an external field... Nitrogen-Doping Enables Covalent-Like pi-pi Bonding between Graphenes... Low-frequency Interlayer Breathing Modes in Few-layer Black Phosphorus... Boron- and Nitrogen-Doped Phenalenyls: Unexpected 2e/ and 4e/all-sites pi-pi Covalency and Genuine Pancake Double Bonding... Untangleing the effects of chain rigidity on the structure and dynamics of strongly adsorbed polymer melts... Low-frequency Raman 'fingerprints' of two-dimensional metal dichalcogenide layer stacking configurations... Tuning Interfacial Thermal Conductance of Graphene Embedded in Soft Materials by Vacancy Defects... Highly stable two-dimensional silicon phosphides: Different stoichiometries and exotic electronic properties... Electric Field Effects on the Intermolecular Interactions in Water Whiskers: Insight from Structures, Energetics, and Propert... Self-assembly and structural relaxation in a model ionomer melt... Controlled Nanopatterning of a Polymerized Ionic Liquid in a Strong Electric Field... Microphase separation in thin films of lamellar forming polydisperse di-block copolymers... Nanostructure enhanced ionic transport in fullerene reinforced solid polymer electrolytes... Electronic Bandgap and Edge Reconstruction in Phosphorene Materials Surface Structure Dependence of SO<sub>2</sub> Interaction with Ceria Nanocrystals with Well-Defined Surface Facets A Novel and Functional Single‐Layer Sheet of ZnSe... A Novel and Functional Single‐Layer Sheet of ZnSe Twisted MoSe2 Bilayers with Variable Local Stacking and Interlayer Coupling Revealed by Low-Frequency Raman Spectroscopy Pagination First page « First Previous page ‹‹ … Page 11 Current page 12 Page 13 … 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