Zhiguo Wang

TL;DR: In this article, the adsorption and diffusion of Li on the heteroatom-doped MoS2 monolayer were investigated using density functional theory, and it was shown that the diffusion energy barriers were slightly decreased as Li diffused towards the doping site, whereas they were increased for the diffusion around the doping sites.

TL;DR: In this article, the authors investigated the H+ ion diffusion properties in LATP glass and their surface interactions using both experimental and modeling approaches, and they found that the apparent H+ related current observed in the initial cyclic voltammetry scan should be attributed to the adsorption of H+ ions on the LatP glass rather than the bulk diffusion of H+) ions in the glass, and the density functional theory calculations indicate that the H+) ion diffusion energy barrier (3.21 eV) is much higher than that of Li+ ion (0.79 eV

TL;DR: In this article, the authors used ab initio molecular dynamics to investigate the lithiation process of silicon and found that the Li mobility is strongly dependent on the composition of the LixSi alloys.

TL;DR: In this article, the brittle to ductile transition (BDT) was investigated in GaN nanotubes and the corresponding transition temperatures have been determined for different thickness and strain rates.

TL;DR: In this article, the melting temperature of a single-crystalline GaN nanotube with [100]-oriented lateral facets is higher than that with [110]- oriented lateral facets for the same thickness.