Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications A Rayleighian approach for modeling kinetics of ionic transport in polymeric media... Aminopolymer functionalization of boron nitride nanosheets for highly efficient capture of carbon dioxide... Strain-engineered optoelectronic properties of two-dimensional transition metal dichalcogenide lateral heterostructures... Enhancing Ion Migration in Grain Boundaries of Hybrid Organic–Inorganic Perovskites by Chlorine Big Effect of Small Nanoparticles: A Shift in Paradigm for Polymer Nanocomposites Unraveling The Agglomeration Mechanism In Charged Block Copolymer And Surfactant Complexes... PdSe2: Pentagonal Two-Dimensional Layers with High Air Stability for Electronics Controllable conversion of quasi-freestanding polymer chains to graphene nanoribbons Grain Boundary Stability and Influence on Ionic Conductivity in a Disordered Perovskite – a First-Principles Investigation ... Direct electrochemical reduction of CO2 to Ethanol using a multiple-site, nanostructured Cu/Carbon electrode... Ultrafast Charge Transfer and Hybrid Exciton Formation in 2D/0D Heterostructures... Isomeric effects on the self-assembly of a plausible prebiotic nucleoside analogue: A theoretical study... Thermo-reversible morphology and conductivity of a conjugated polymer network embedded in polymeric self-assembly... Enhanced Dynamics of Hydrated tRNA on Nanodiamond Surfaces: A Combined Neutron Scattering and MD Simulation Study... Understanding how Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinea... A Computational Design Workflow for Silicon Donor Qubits... Vertical Phase Segregation Induced by Dipolar Interactions in Planar Polymer Brushes... In-plane heterojunctions enable multiphasic 2D MoS2 nanosheets as efficient photocatalysts for hydrogen evolution from water ... Transition metal substitutional doping in synthetic atomically-thin semiconductors... Thermodynamics and Kinetics of Gas Storage in Porous Liquids... Nanoforging of Single Layer MoSe2 Through Defect Engineering with Focused Helium Ion Beams... Controlling Interfacial Dynamics: Covalent Bonding versus Physical Adsorption in Polymer Nanocomposites... Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces... Tailoring Vacancies Far Beyond Intrinsic Levels Changes the Carrier Type in Monolayer MoSe2-x CrystalsVacancy induced anomali... Unraveling the Fundamental Mechanisms of Solvent Additive-Induced Optimization of Power Conversion Efficiencies in Organic Ph... Pagination First page « First Previous page ‹‹ … Page 9 Current page 10 Page 11 … 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