Unbiased open-ended methods for finding transition states are powerful tools to understand diffusion and relaxation mechanisms associated with defect diffusion, growth processes, and catalysis. They have been little used, however, in conjunction with ab initio packages as these algorithms demanded large computational effort to generate even a single event. Here, we revisit the activation-relaxa...

Theory and stochastic lattice-gas modeling is developed for the formation of intercalated metal islands in the gallery between the top layer and the underlying layer at the surface of layered materials. Our model for this process involves deposition of atoms, some fraction of which then enter the gallery through well-separated point-like defects in the top layer. Subsequently, these atoms diffu...

Coexistence of both edge plane and basal plane in graphite often hinders the understanding of lithium ion diffusion mechanism. In this report, two types of graphene samples were prepared by chemical vapor deposition (CVD): (i) well-defined basal plane graphene grown on Cu foil and (ii) edge plane-enriched graphene layers grown on Ni film. Electrochemical performance of the graphene electrode ca...

Short-time/low-temperature thermal oxidation is known to lead to point defect perturbations in silicon. This study investigates the interaction between oxidation-induced point defects and type II dislocation loops intentionally introduced in silicon via ion implantation. The type II (end-of-range) dislocation loops were introduced via implantation of either Sif ions at 50 keV or Ge+ ions at 100...

The correlation between the internal quantum efficiency (IQE) and effective diffusion length estimated by cathodoluminescence intensity line profile near dark spots, including effect of non-radiative recombination due to point defects, was experimentally clarified for AlGaN multiple wells (MQWs) on face-to-face annealed (FFA) sputter-deposited AlN templates with different IQEs similar dislocati...