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Full-Text Articles in Engineering

Computational Modeling Of The Structure And Catalytic Behavior Of Graphene-Supported Pt And Ptru Nanoparticles, Raymond Gasper Oct 2018

Computational Modeling Of The Structure And Catalytic Behavior Of Graphene-Supported Pt And Ptru Nanoparticles, Raymond Gasper

Doctoral Dissertations

Computer modeling has the potential to revolutionize the search for new catalysts for specific applications primarily via high-throughput methodologies that allow researchers to scan through thousands or millions of potential catalysts in search of an optimal candidate. To date, the bulk of the literature on computational studies of heterogeneous catalysis has focused on idealized systems with near-perfect crystalline surfaces that are representative of macroscopic catalysts. Advancing the frontier to nanoscale catalysis, in particular, heterogeneous catalysis on nanoclusters, requires consideration of low-symmetry nanoparticles with realistic structures including the attendant complexity arising from under-coordination of catalyst atoms and dynamic fluxionality of clusters. …


Effects Of Air And Other Gases In The Stabilization Process Of The Superprotonic Phase Of Cesium Dihydrogen Phosphate Within A Hermetically Sealed Chamber, Israel Martinez Jan 2018

Effects Of Air And Other Gases In The Stabilization Process Of The Superprotonic Phase Of Cesium Dihydrogen Phosphate Within A Hermetically Sealed Chamber, Israel Martinez

Open Access Theses & Dissertations

The solid acid CsH2PO4 (CDP), exhibits a sudden increase in its proton conductivity as it’s heated above a certain temperature (around T~235oC), which makes it a very attractive candidate to be used as an electrolyte in intermediate temperature fuel cells. Unfortunately, at these temperatures the sample is not stable, as starts to dehydrate; which causes a dramatic drop in the proton conductivity over a short period of time (less than one hour). In order to inhibit, or at least delay, the dehydration process, the solid acid it’s put under a saturated water vapor atmosphere. Another method to stabilize the highly …


Fundamentals Of Srcoo3 Based Oxygen-Deficient Perovskites As Cathodes For Solid Oxide Fuel Cells, Tianrang Yang Jan 2018

Fundamentals Of Srcoo3 Based Oxygen-Deficient Perovskites As Cathodes For Solid Oxide Fuel Cells, Tianrang Yang

Theses and Dissertations

The local structure and oxygen stoichiometry in oxide systems have a profound impact on oxygen electrocatalysis encountered in metal-air batteries and solid oxide fuel cells (SOFCs). However, this knowledge is often obtained under conditions different from the real working conditions of the material, resulting in misinterpretation and misunderstanding. This PhD dissertation aims to obtain the structure and oxygen stoichiometry information of a class of perovskite oxides under their real working conditions in solid oxide fuel cells. Several perovskite oxides were selected for the study: Sr0.9Y0.1CoO3- (SYC10), Sr0.9Y0.3CoO3- (SYC30), SrCo0.9Nb0.1O3- (SCN10) and SrCo0.9Ta0.1O3- (SCT10). The local crystal structure and oxygen stoichiometry …