Thermodynamics of Molybdenum Trioxide Encapsulated in Zeolite Y

Zeolites with encapsulated transition metal species are extensively applied in the chemical industry as heterogenous catalysts for favorable kinetic pathways. To elucidate the energetic insights into formation of subnano-sized molybdenum trioxide (MoO) encapsulated/confined in zeolite Y (FAU) from constituent oxides, we performed a systematic experimental thermodynamic study using high temperature oxide melt solution calorimetry as the major tool. Specifically, the formation enthalpy of each MoO/FAU is less endothermic than corresponding zeolite Y, suggesting enhanced thermodynamic stability. As Si/Al ratio increases, the enthalpies of formation of MoO/FAU with identical loading (5 Mo-wt%) tend to be less endothermic, ranging from 61.1 ± 1.8 (Si/Al = 2.9) to 32.8 ± 1.4 kJ/mol TO (Si/Al = 45.6). Coupled with spectroscopic, structural and morphological characterizations, we revealed intricate energetics of MoO – zeolite Y guest – host interactions likely determined by the subtle redox and/or phase evolutions of encapsulated MoO.

Thermodynamics of Molybdenum Trioxide (MoO3) Encapsulated in Zeolite Y

Zeolites with encapsulated transition metal species are extensively applied in the chemical industry as heterogenous catalysts for favorable kinetic pathways. To elucidate the energetic insights into formation of subnano-sized molybdenum trioxide (MoO) encapsulated/confined in zeolite Y (FAU) from constituent oxides, we performed a systematic experimental thermodynamic study using high temperature oxide melt solution calorimetry as the major tool. Specifically, the formation enthalpy of each MoO/FAU is less endothermic than corresponding zeolite Y, suggesting enhanced thermodynamic stability. As Si/Al ratio increases, the enthalpies of formation of MoO/FAU with identical loading (5 Mo-wt%) tend to be less endothermic, ranging from 61.1 ± 1.8 (Si/Al = 2.9) to 32.8 ± 1.4 kJ/mol TO (Si/Al = 45.6). Coupled with spectroscopic, structural and morphological characterizations, we revealed intricate energetics of MoO – zeolite Y guest – host interactions likely determined by the subtle redox and/or phase evolutions of encapsulated MoO.

New Formation Mechanisms of Pores and Cracks in Micro-arc Oxidation Coatings on 6061 Aluminum Alloy with High Temperature Oxide Prefab Film

Prior to micro-arc oxidation (MAO) treatment, a layer of high temperature oxide (HTO) prefab film was fabricated on the surface of 6061 aluminum alloy specimens. The formation mechanisms of the cracks and pores in the MAO coatings were investigated by means of Mg element as the tracer. The results showed that there were several different formation mechanisms for the pores and cracks formed in the MAO coatings as follows. Some of pores were attributed to the residual micro-discharge channels, and the others were attributed to the residual uncovered concave regions locating among the surrounding convex regions. The difference in oxide phase composition caused by the compositional fluctuations in the coating weakened the bond strength at the phase interface and resulted in forming cracks between every two convex regions. Some of cracks were resulted from the solidification and shrinkage of molten coating materials, and the others were resulted from the poor connection between every two convex regions. The surface morphology and the content of each element of the MAO coating were determined using scanning electron microscopy (SEM) equipped with energy dispersive X-ray spectroscopy (EDS).

Defect Chemistry and Doping of BiCuSeO

While p-type BiCuSeO is a well-known mid-temperature oxide thermoelectric (TE) material, computations predict that superior TE performance can be realized through n-type doping. In this study, we use first-principles defect...