The doping effects of Al2O3 on SiO2 ( -cristobalite) have been studied by first principles calculations, with emphasis on the structural, electronic and optical properties. Compared to pure SiO2 crystal, the electronic density of states (DOS) of the Al2O3 doped SiO2 show significant changes. The electron energy states corresponding to the newly emerged sharp DOS peaks are found to exhibit local...

-The present investigation is based on the effect of thermal residual stresses on the both thermal expansion and damping behavior of Al/Al2O3 Metal Matrix Composites (MMCs) processed by compo casting. Thermal expansion and damping properties have been studied experimentally as a function of temperature over a temperature range from room temperature to 400°C both in the heating and cooling cycle...

The present work intends to explain why ultrathin Al2O3 atomic-layer-deposited (ALD) on the back contact with rectification and tunneling effects can significantly improve the performance of CdTe solar cells in our previous work [ Liang , J. ; et al. Appl. Phys. Lett. 2015 , 107 , 013907 ]. Herein, we further study the mechanism through establishing the interfacial energy band diagram configura...

We present density functional theory calculations of methanol molecular adsorption at the (0001) surface of α-Al2O3, for methanol coverages of 1/4 to 1 monolayer (ML). Adsorption energies, adsorption-induced restructuring of the surface, and induced changes to the electronic structure are calculated. We find that methanol bonds with its O atom to Al atoms at the α-Al2O3(0001) surface with an ad...

nanosized al2o3 powder is synthesized by thermal metal organic chemical vapor deposition (mocvd)combined withplasma. the effects of reaction temperature, pressure, al(ch3)3 (tma) concentration and reactant gases (co2 and o2) on the characteristics of the synthesized al2o3 powders are investigated. the experimental results demonstrate that very fineal2o3 powders with mean particle size of about ...

Quantum molecular dynamics simulations of α-Al2O3(0001)/3C-SiC(111) interfaces reveal profound effects of thermal annealing for producing strong interfaces consisting solely of cation-anion bonds and their consequence on interfacial structures. A Si-terminated SiC surface and Al2O3 form a stronger interface (Si-interface) with a Si-O bond density of 12.2  nm(-2), whereas the C interface has an ...

We report a quantitative measurement of the pressure effect on melting point elevation of encapsulated nanoparticles without epitaxial interfaces. By means of in situ x-ray diffraction, a substantial melting point elevation of about 15 K in encapsulated Al nanoparticles in Al2O3 shells without epitaxial interfaces was observed. Meanwhile, a pressure buildup of about 0.25 GPa on the Al nanoparti...