相关论文: Charge transfer induced cubic gauche nitrogen from…
The performance of carbon nanotube (CNT) cables, a contender for copper-wire replacement, is tied to its metallic and semi-conducting-like conductivity responses with temperature; the origin of the semi-conducting-like response however is…
Thermal conductance of metal contacts on transferred graphene (trG) could be significantly reduced from the intrinsic value of similar contacts on as-grown graphene (grG), due to additional resistance by increased roughness, residues,…
The thermoelectric properties of cubic zincblend silicon carbide nanowires (SiCNWs) with nitrogen impurities and vacancies along [111] direction are theoretically studied by means of atomistic simulations. It is found that the…
Sorbent materials are a promising alternative to advance hydrogen storage technologies. The general disadvantage is the relatively weak solid-gas interaction and adsorption energy, providing low gravimetric and volumetric capacities and…
Understanding the atomic-scale mechanisms governing metal-mediated nucleation and growth of gallium nitride (GaN) and related alloys is critical for tailoring their structural and functional properties in advanced electronic,…
CDW/Normal metal/CDW junctions and nanoconstrictions in crystals of the quasi-one-dimensional conductor NbSe$_3$ are manufactured using a focused-ion-beam. It is found that the low-temperature conduction of these structures changes…
The polymorphism and mechanism of helium compounds is crucial for understanding the physical and chemical nature of He-bearing materials under pressures. Here, we predict two new types of He-bearing compounds, MgHe and MgnHe (n = 6, 8, 10,…
Electric-field effect control of two-dimensional electron gases (2-DEG) has enabled the exploration of nanoscale electron quantum transport in semiconductors. Beyond these classical materials, transition metal-oxide-based structures have…
Charge carrier scattering is critical to the electrical properties of two-dimensional materials such as graphene, transition metal dichalcogenide monolayers, black phosphorene, and tellurene. Beyond pristine two-dimensional materials,…
We use variable-temperature (150--300\,K) single-crystal X-ray diffraction to re-examine the interplay between structure and dynamics in the ambient phase of the isotropic negative thermal expansion (NTE) material Cd(CN)$_2$. We find strong…
As a new type of topological materials, ZrTe5 shows many exotic properties under extreme conditions. Utilizing resistance and ac magnetic susceptibility measurements under high pressure, while the resistance anomaly near 128 K is completely…
Here we study the effect of Ca doping on charge transfer mechanism of polycrystalline YBa2Cu3O7-{\delta} compound. The samples of composition Y1-xCaxBa2Cu3O7-{\delta} (x = 0.00, 0.05, 0.10, 0.20 and 0.30) are synthesized through standard…
Hybrid superconductor/semiconductor devices play a crucial role in advancing quantum science and technology by merging the properties of superconductors and semiconductors. To operate these devices at high temperature, Niobium could…
To raise the superconducting-transition temperature (Tc) has been the driving force for the long, sustained effort in superconductivity research. Recent progress in hydrides with Tcs up to 287 K under 267 GPa has heralded a new era of…
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…
Nonreciprocal charge transport phenomena are studied theoretically for two-dimensional noncentrosymmetric superconductors under an external magnetic field $B$. Rashba superconductors, surface superconductivity on the surface of…
Temperature dependence of the thermal rate constants and kinetic isotope effects (KIE) of the CN + C2H6 gas-phase hydrogen abstraction reaction was theoretically determined within the 25-1000 K temperature range, i.e., from ultra-low to…
The charge transfer (ionization) of hydrogen Rydberg atoms (principal quantum number $n=25-34$) incident at a Cu(100) surface is investigated. Unlike fully metallic surfaces, where the Rydberg electron energy is degenerate with the…
Metal-string complexes in the quasi-1D framework may play an important role in molecular electronics by serving not only as nanoscale interconnects but also as active functional elements for nanoelectronic devices. However, because of the…
Nitrate reduction to ammonia has attracted much attention for nitrate (NO3-) removal and ammonia (NH3) production. Identifying promising catalyst for active nitrate electroreduction reaction (NO3RR) is critical to realize efficient…