Abstract Simulations of Al thin film sputter depositions rely on accurate plasma and surface interaction models. Establishing the latter commonly requires a higher level abstraction means to dismiss fundamental atomic fidelity. Previous works sputtering processes addressed this issue by establishing machine learning surrogate models, which include basic state (i.e. stoichiometry) as static inpu...

Enhanced ionic mobility in mixed and electronic conducting solids contributes to improved performance of memristive memory, energy storage conversion, catalytic devices. Ionic can be significantly depressed at reduced temperatures, for example, due defect association therefore needs monitored. Measurements transport conductors, however, proves difficult dominant conductivity. This study examine...

The Srn+1FenO3n+1 Ruddlesden-Popper (RP) perovskite family displays promising oxygen permeability and serves as a host stoichiometry for the design of solid oxide electrode materials. A strategy to tune electronic ionic properties is introduction substitutional dopants like Pr3+ A-site. In this study, we investigate bulk structural, electronic, migration n = 1 RP (Sr1-xPrx)2FeO4±? (x 0, 0.125, ...

Control and tunability of the catalytic oxidation of CO by gold clusters deposited on MgO surfaces grown on molybdenum, Mo(100), to various thicknesses are explored through temperature-programmed reaction measurements on mass-selected 20-atom gold clusters and via first-principles density functional theory calculations. Au(20) was chosen because in the gas phase it is characterized as an extrao...

Two contemporary effects of humans on aquatic ecosystems are increasing temperatures and increasing nutrient concentrations from fertilizers. The response of organisms to these perturbations has important implications for ecosystem processes. We examined the effects of phosphorus (P) supply and temperature on organismal carbon, nitrogen and phosphorus (C, N, and P) content, cell size and alloca...

Improved methods for the flux growth of single crystals of the important battery material LiFePO4 have been developed, allowing the facile preparation of single crystals up to 1 cm across with well-developed facets at relatively low temperatures. The structural characterization of these samples by both powder X-ray diffraction and single crystal diffraction (X-ray and neutron) indicates that th...

This work presents an improved point defect model for the time-dependent formation of passive oxide films on metal surfaces. Like previous point-defect models, the present model assumes that charged defects, or vacancies, carry current across the growing oxide film. However, we treat the vacancies explicitly as material species which participate in oxide formation and dissolution reactions form...