Bobby G. Sumpter

TL;DR: In this article, the energy in a local bond mode as a function of time is computed to determine the nature and time scale for the decay of local mode excitation, which is characterized by a slow, irreversible flow of energy out of the OH overtone excitation.

TL;DR: In this paper, a density functional theory of the structures and electronic properties of armchair boron nitride nanoribbons (BNNRs) with O atoms and OH groups was presented.

TL;DR: Simulation results on the formation dynamics of an electrical double layer (EDL) inside an electrochemical cell featuring room-temperature ionic liquids (RTILs) enclosed between two planar electrodes show good agreement between the Landau-Ginzburg-type continuum model and the MD.

TL;DR: In this article, the authors proposed that specific alloying can provide an effective means to suppress the deep defect levels in semiconductors while maintaining their basic electronic properties, and they demonstrated that for transition-metal dichalcogenides, such as MoSe 2 and WSe 2, where anion vacancies are the most abundant defects that can induce deep levels, the deep levels can be effectively suppressed in MoSe 1-x}WSe 2 alloys at low W concentrations.

TL;DR: A methodology based on the principles of linear non-equilibrium thermodynamics is presented, which allows systematic study of various effects such as the changes in the solvent properties due to phase transformation from liquid to vapor and polymer thermodynamics resulting from such solvent transformations.