Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 3 of 3
Full-Text Articles in Entire DC Network
Atomistic Structures And Transport Phenomena At Interfaces In Lithium Battery Materials, Akihide Kuwabara
Atomistic Structures And Transport Phenomena At Interfaces In Lithium Battery Materials, Akihide Kuwabara
Composites at Lake Louise (CALL 2015)
Lithium-ion batteries (LIBs) are widely used in mobile devices. Increasingly they are also being scaled up for use as energy-storage devices in hybrid vehicles and fully electric ones. All-solid-state LIBs are expected to be one of the candidates as next generation LIBs because the LIBs can realize higher energy density and safety without liquid electrolytes. In these devices, the solid-solid interfaces, specifically those between electrodes and an electrolyte and grain boundaries within each component, are thought to strongly affect the battery performance. Despite their clear scientific and technical importance, however, so far, few studies have focused on the internal interfaces …
Thermodynamics Of Migration In Polymers: Can Contamination From Materials In Contact Be Predicted, Controlled And Possibly Avoided?, Olivier Vitrac, Phuong Nguyen
Thermodynamics Of Migration In Polymers: Can Contamination From Materials In Contact Be Predicted, Controlled And Possibly Avoided?, Olivier Vitrac, Phuong Nguyen
Single-Use Technologies: Bridging Polymer Science to Biotechnology Applications
The contamination from materials is coined as “migration” and refers to a combination of various mass transfer mechanisms under thermodynamic control: molecular or mutual diffusion, sorption and desorption phenomena linear with concentration or not. The contamination pathways are particularly complicated when they involve several components or steps and strong interactions between materials and the medium in contact. They have been studied and mathematically described with two possible purposes: i) simplified approaches with a goal of overestimating the real contamination and ii) more sophisticated approaches to optimize the design of polymer materials, packaging materials or to redesign plastic additives with lower …
Carbon Dioxide Sorption In A Nanoporous Octahedral Molecular Sieve, Izaak Williamson, Eric B. Nelson, Lan Li
Carbon Dioxide Sorption In A Nanoporous Octahedral Molecular Sieve, Izaak Williamson, Eric B. Nelson, Lan Li
Materials Science and Engineering Faculty Publications and Presentations
We have performed first-principles density functional theory calculations, incorporated with van der Waals interactions, to study CO2 adsorption and diffusion in nanoporous solid – OMS-2 (Octahedral Molecular Sieve). We found the charge, type, and mobility of a cation, accommodated in a porous OMS-2 material for structural stability, can affect not only the OMS-2 structural features but also CO2 sorption performance. This paper targets K+, Na+, and Ba2+ cations. First-principles energetics and electronic structure calculations indicate that Ba2+ has the strongest interaction with the OMS-2 porous surface due to valence electrons donation to …