相关论文: Formation and dissociation reactions of complexes …
The c(6x2) is a reconstruction of the SrTiO3(001) surface that is formed between 1050-1100oC in oxidizing annealing conditions. This work proposes a model for the atomic structure for the c(6x2) obtained through a combination of results…
Silicon together with its native oxide SiO$_2$ was recognized as an outstanding material system for the semiconductor industry in the 1950s. In state-of-the-art device technology, SiO$_2$ is widely used as an insulator in combination with…
The problem of the geometry of interstitial oxygen in silicon is settled by proper consideration of the quantum delocalization of the oxygen atom around the bond-center position. The calculated infrared absorption spectrum accounts for the…
The diffusion path and diffusivity of oxygen in crystalline silicon are computed using an empirical interatomic potential which was recently developed for modelling the interactions between oxygen and silicon atoms. The diffusion path is…
Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…
Thin gadolinium metallic layers were deposited by high-pressure sputtering in pure Ar atmosphere. Subsequently, in situ thermal oxidation was performed at temperatures ranging from 150 to 750 $^\circ$C. At an oxidation temperature of 500…
Experimental results on the formation of molecular hydrogen on amorphous silicate surfaces are presented for the first time and analyzed using a rate equation model. The energy barriers for the relevant diffusion and desorption processes…
This work constructs a rovibrational state-to-state model for the $\text{O}_2$+$\text{O}_2$ system leveraging high-fidelity potential energy surfaces and quasi-classical trajectory calculations. The model is used to investigate internal…
Materials with good carrier mobilities are desired for device applications, but in real devices the mobilities are usually limited by the presence of interfaces and contacts. Mobility degradation at semiconductor-dielectric interfaces is…
This paper is a report on Ohmic contacts on n-type and p-type type cubic silicon carbide (3C-SiC) layers grown on silicon substrates. In particular, the morphological, electrical and structural properties of annealed Ni and Ti/Al/Ni…
Highly efficient oxygen active materials that react with, absorb, and transport oxygen is essential for fuel cells, electrolyzers and related applications. While vacancy mediated oxygen ion conductors have long been the focus of research,…
Reactions of SiO molecules have been postulated to initiate efficient formation of silicate dust particles in outflows around dying (AGB) stars. Both OH radicals and H$_2$O molecules can be present in these environments and their reactions…
Converting CO$_2$ to useful compounds through the solar photocatalytic reduction has been one of the most promising strategies for artificial carbon recycling. The highly relevant photocatalytic substrate for CO$_2$ conversion has been the…
We report first-principles calculations that reveal the atomic forms, stability, and energy levels of carbon-related defects in SiC (0001)/SiO$_{\rm 2}$ systems. We clarify the stable position (SiC side, SiO$_{\rm 2}$ side, or just at the…
A prevailing theory for the interstellar production of complex organic molecules (COMs) involves formation on warm dust-grain surfaces, via the diffusion and reaction of radicals produced through grain-surface photodissociation of stable…
A novel growth technique for low density, non-icosahedral carbon onion-like structures on Cu surface is described. The technique differs with the formation of carbon onions inside the C1+ implanted metal surfaces at high temperatures with…
The rotational transitions of carbon monoxide (CO) are the primary means of investigating the density and velocity structure of the molecular interstellar medium. Here we study the lowest four rotational transitions of CO towards…
C$^+$ is a critical constituent of many regions of the interstellar medium, as it can be a major reservoir of carbon and, under a wide range of conditions, the dominant gas coolant. Emission from its 158$\mu$m fine structure line is used to…
CO2 is one of the dominant components of the interstellar ice. Recent observations show CO2 exists more abundantly in polar (H2O-dominated) ice than in apolar (H2O-poor) ice. CO2 ice formation is primarily attributed to the reaction between…
The high-mobility conducting interface (CI) between LaAlO_{3}(LAO) and SrTiO_{3}(STO) has revealed many fascinating phenomena, including exotic magnetism and superconductivity. But, the formation mechanism of the CI has not been…