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Bobby G. Sumpter
Researcher at Oak Ridge National Laboratory
Publications - 652
Citations - 28014
Bobby G. Sumpter is an academic researcher from Oak Ridge National Laboratory. The author has contributed to research in topics: Polymer & Graphene. The author has an hindex of 60, co-authored 619 publications receiving 23583 citations. Previous affiliations of Bobby G. Sumpter include University of Florida & Cornell University.
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Quantum Trajectory-Electronic Structure Approach for Exploring Nuclear Effects in the Dynamics of Nanomaterials
TL;DR: The QTES-DFTB dynamics approach is employed to study the role of quantum nuclear effects on the interaction of hydrogen with a model graphene sheet, revealing that neglect of nuclear effects can lead to an overestimation of adsorption.
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Electronic structure of xDNA.
TL;DR: It is found that the HOMO-LUMO gap of xDNA is about 0.5 eV smaller than that of B-DNA, independent of the technique used, and that xDNA could be a plausible candidate for molecular-wire applications.
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Unraveling the Agglomeration Mechanism in Charged Block Copolymer and Surfactant Complexes
TL;DR: In this paper, a molecular dynamics simulation investigation of self-assembly and complex formation of charged-neutral double hydrophilic and hydrophobic-hydrophilic block copolymers (BCP) with oppositely charged surfactants was performed.
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Vertical Phase Segregation Induced by Dipolar Interactions in Planar Polymer Brushes
TL;DR: In this article, a generalized theory for studying structural properties of a planar dipolar polymer brush immersed in a polar solvent is presented, where an explicit treatment of the dipolar interactions yields a macroscopic concentration dependent effective "chi" parameter.
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Tuning from Half-Metallic to Semiconducting Behavior in SiC Nanoribbons
TL;DR: In this paper, the authors identify pristine zigzag silicon carbide nanoribbons (zSiC-NRs) with bare edges as a metal-free monolayered material that exhibits intrinsic half-metallic behavior without chemical doping or an external electric field.