In constant use since ancient times, glass remains a highly valued material that is ubiquitous in daily life. Today, glass has become an indispensable and essential component in such fields as photonics, optical communications, photovoltaic cells, household appliances, vehicles, and building materials. However, one of major stumbling blocks for its optimal use is the low glass-forming ability (GFA) of many glass-forming compositions, which is far from being adequately solved. Understanding the nature of the GFAs of materials is the key to the development of new glasses with improved properties and manufacturability for various engineering applications. The rapid development of new glasses over the past several decades has led to increasingly complex material compositions. However, the phase diagrams of these materials have yet to be properly addressed even though such diagrams are extremely useful in rationally designing glass-forming compositions and predicting their behavior in pursuit of new functional glasses with particular desired properties. In this context, the present review strives to provide new insights into the formation of glasses and glass-forming regions through quantitative calculations and predictions based on a comprehensive survey and analysis of the existing experimental observations and theoretical considerations, a considerable portion of which stems from work performed in our own laboratory.

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The formation of glass: a quantitative perspective

Nanomaterials as catalysts for CO2 transformation into value-added products: A review.

Catalytic oxidation of methane to CO has been investigated in this paper with the employment of a novel core shell structural Pt-Pd catalyst, which exhibits high performance in conversion and selectivity. To figure out the correlation of surface species to reaction selectivity, the particle structure, reaction intermediates, etc. have been characterized via reaction kinetics, isotopic exchange, TPR, and various “in situ” techniques, such as FTIR, XPS and XAS. The oxygen concentration, vacancy, metal surface sites, coordination number, etc. have been further calculated. Core shell catalyst attends to form strong bonding / coordination with carbon ions, therefore, it is very active to dissociate C-H bond in methane. The strong combination of the low coordinated Pd sites to surface oxygen (O*) leads to the blockage or reduction of the complete oxidation of CO, resulting in good catalytic performance of the core shell structural Pt-Pd catalyst in methane conversion and CO selectivity. 

High performance of conversion and selectivity of methane to CO via Pt-Pd core-shell structural catalyst

Energy is essential in the human race toward prosperity and always remains in peak demand. Conventional fossil fuel may somehow fulfil this energy demand for now but at the cost...

Recent Advancement in Heterogeneous CO2 Reduction Processes in Aqueous Electrolyte

The structural and energetic characteristics of LaCl
 (3 − )+
 (n = 1−8) complexes have been calculated by the ab initio MP2 method.

Ab initio study of the structure and stability of ThFn(4−n)+ complexes (n = 1–8)

Platinum Group Metal Catalyst (RuOx, PtOx, and IrOx)-Decorated Ceria-Zirconia Solid Solution as High Active Oxygen Carriers for Solar Thermochemical CO2 Splitting

The structure of 30ThF 4 · 10BaF 2 · 60LiF glass was studied by X-ray diffraction and molecular dynamics simulation. The Th atoms are mainly eight- and ninefold coordinated by fluorines. The average Th F bond length is 2.36A. The network is constructred by corner- and edge-sharing [ThF n ] polyhedra. The Th Th atomic distance is about 4.05Aedge-sharing and 4.59Afor corner-sharing. The Th F- Th bond angle is about 120° for edge-sharing and 153° for corner-sharing. Bridging fluorine (F b ), non-bridging fluorine (F nb ) and free fluorine (F f ) are all present in the MD glass. The F f are only bonded with Ba and Li atoms. An equilibrium constant K (= [F b ][F f ]/[F nb ] 2 ) of 0.074 is obtained.

X-ray diffraction and molecular dynamics study of ThF4BaF2LiF glass

Photocatalytic selective oxidation of sp3 C-H bonds using O2 is a ideal method for the hydrocarbons' functionalization. Herein, Bi2MoO6 samples with {010} and {001} facets were fabricated by controlling the...

Xinju Li

Papers

Platinum Group Metal Catalyst (RuOx, PtOx, and IrOx)-Decorated Ceria-Zirconia Solid Solution as High Active Oxygen Carriers for Solar Thermochemical CO2 Splitting

X-ray diffraction and molecular dynamics study of ThF4BaF2LiF glass

Facet-dependent Bi2MoO6 for highly efficient photocatalytic selective oxidation of sp3 C-H bonds using O2 as the oxidant