Bobby G. Sumpter

TL;DR: In this article, the authors analyzed the trustworthiness of DFT results, meaning the range of expected variations in the DFT prediction of experimentally measurable quantities, in characterizing the gas adsorption/desorption thermodynamics.

TL;DR: The tensile properties of tetra-functional multigraft copolymers have been shown to have surprising high strain at break (~2100%), about double that of commercial thermoplastic elastomers such as Kraton as discussed by the authors.

TL;DR: In this paper, the authors studied the transition between sticking and reactive scattering trajectories of polyethylene nanoparticles in collinear collisions and showed that at all but extremely high velocities, particles undergo rapid and irreversible energy transfer from the relative translational coordinate into other internal coordinates, resulting in dimerization of the polymer particles.

TL;DR: This study shows promise for enabling more flexibility in processing and utilizing water-soluble conjugated polymers in aqueous solutions for self-assembly based fabrication of stimuli-responsive nanostructures and sensory materials.

TL;DR: In this paper, the energy profiles of various reaction pathways using density functional theory and the nudged elastic band method were investigated for cyclodehydrogenation of a 7-atom-wide armchair GNR made from 10,10′-dibromo-9,9′-bianthryl (DBBA) precursors on metal substrates through dehalogenation/polymerization followed by cyclode hydrogenation.