Instantaneous electrical breakdown measurements of GaN and Ag nanowires are performed by an in situ transmission electron microscopy method. Our results directly reveal the mechanism that typical thermally heated semiconductor nanowires break at the midpoint, while metallic nanowires breakdown near the two ends due to the stress induced by electromigration. The different breakdown mechanisms for the nanowires are caused by the different thermal and electrical properties of the materials.
High ionic conductivity of solid electrolytes is key to achieving high-power all-solid-state rechargeable batteries. The superionic argyrodite family is among the most conductive Li-ion conductors. However, their potential in ionic conductivity and stability is far from being reached, especially with Li 6 PS 5 Br. Here, we synthesized Li 6−x PS 5−x Br 1+x with increased site mixing of Br − /S 2− . An ionic conductivity of 11 mS cm −1 at 25 °C is achieved with a low activation energy of 0.18 eV for Li 5.3 PS 4.3 Br 1.7 . The influence of Br − /S 2− mixing on ion conduction is systematically investigated with multinuclear solid-state NMR coupled with X-ray diffraction and impedance spectroscopy. A statistically random distribution of Br − and S 2− at 4d sites is observed with 31 P NMR. The resulting local structures regulate the jump rates of their neighboring Li ions and Li redistribution. As a result, the increased Li + occupancy at 24g sites promotes fast ion conduction, and the role of Li (24g) in ion conduction has been elucidated with tracer-exchange NMR. Experimental evidence combined with density functional theory calculations has revealed that the particular arrangement of 1S3Br at 4d sites near Li maximizes overall Li + conduction. This insight applies to other argyrodites and will be useful to the design of new fast ion conductors.
The contact resistance (R(c)) between graphene and metal electrodes is of crucial importance for achieving potentially high performances for graphene devices. However, previous analytical models based on Landauer's approach have failed to include the Fermi velocity difference between the graphene under the metal and the pure graphene channel. Hereby we report a theoretical model to estimate the R(c) using density-functional theory and non-equilibrium Green's function methods. Our model not only presents a clear physical picture of the metal-graphene contacts, but also generates R(c) values which are in good agreement with the experimental results: 210 Ω μm for double-sided Pd contacts compared with 403 Ω μm for single-sided Pd contact.
The key component in lithium solid‐state batteries (SSBs) is the solid electrolyte composed of lithium superionic conductors (SICs). Lithium oxide SICs offer improved electrochemical and chemical stability compared with sulfides, and their recent advancements have largely been achieved using materials in the garnet‐ and NASICON (sodium superionic conductor)‐ structured families. In this work, using the ion‐conduction mechanisms in garnet and NASICON as inspiration, a common pattern of an “activated diffusion network” and three structural features that are beneficial for superionic conduction: a 3D percolation Li diffusion network, short distances between occupied Li sites, and the “homogeneity” of the transport path are identified. A high‐throughput computational screening is performed to search for new lithium oxide SICs that share these features. From this search, seven candidates are proposed exhibiting high room‐temperature ionic conductivity evaluated using ab initio molecular dynamics simulations. Their structural frameworks including spinel, oxy‐argyrodite, sodalite, and LiM(SeO3)2 present new opportunities for enriching the structural families of lithium oxide SICs.
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