Growth Behavior of Ni on Hydrogen-Etched WS Surface.

Transition metal dichalcogenides (TMDs) are 2D materials in which the layers are stacked together by van der Waals forces. Although TMDs are expected to be promising for electronic applications, forming a uniform electrode on them is challenging because of the low adhesion forces between metals and TMDs. This study focuses on improving the quality of metal electrodes by introducing atomic H to create surface defects, using Ni on WS as an example.

Ab Initio and Theoretical Study on Electron Transport through Polyene Junctions in between Carbon Nanotube Leads of Various Cuts.

In this study we look into the interference effect in multi-thread molecular junctions in between carbon-nanotube (CNT) electrodes of assorted edges. From the tube end into the tube bulk of selected CNTs, we investigate surface Green's function and layer-by-layer local density of states (LDOS), and find that both the cross-cut and the angled-cut armchair CNTs exhibit 3-layer-cycled LDOS oscillations. Moreover, the angled-cut armchair CNTs, which possess a zigzag rim at the cut, exhibit not only the oscillations, but also edge state component that decays into the tube bulk.

Interfacial effects on leakage currents in Cu/α-cristobalite/Cu junctions.

As the miniaturization trend of integrated circuit continues, the leakage currents flow through the dielectric films insulating the interconnects become a critical issue. However, quantum transport through the mainstream on-chip interfaces between interconnects and dielectrics has not been addressed from first principles yet. Here, using first-principles calculations based on density functional theory and nonequilibrium Green's function formalism, we investigate the interfacial-dependent leakage currents in the Cu/α-cristobalite/Cu junctions.