Engineering topics
Yildiz, B.
Publications and source records attributed to Yildiz, B..
Chemomechanics of ionically conductive ceramics for electrical energy conversion and storage
Functional materials for energy conversion and storage show strong coupling between electrochemistry and mechanics. For instance, ceramics developed as electrodes for both solid oxide fuel cells and batteries exhibit cyclic volumetric expansion upon reversible ion transport. Such chemomechanical coupling is typically far from thermodynamic equilibrium, and thus is challenging to quantify experimentally and computationally. In situ measurements and atomistic simulations are under rapid development to explore how this coupling can be used to potentially improve both device performance and durability. In this work, we review the commonalities of coupling between electrochemical and mechanical states in fuel cell and battery materials, illustrating with specific cases the progress in materials processing, in situ characterization, and computational modeling and simulation. We also highlight outstanding questions and opportunities in these applications – both to better understand the limiting mechanisms within the materials and to significantly advance the durability and predictability of device performance required for renewable energy conversion and storage.
Low intensity conduction states in FeS 2 : implications for absorption, open-circuit voltage and surface recombination
Pyrite (FeS 2 ), being a promising material for future solar technologies, has so far exhibited in experiments an open-circuit voltage (OCV) of around 0.2 V, which is much lower than the frequently quoted 'accepted' value for the fundamental bandgap of ~0.95 eV. Absorption experiments show large subgap absorption, commonly attributed to defects or structural disorder. However, computations using density functional theory with a semi-local functional predict that the bottom of the conduction band consists of a very low intensity sulfur p-band that may be easily overlooked in experiments because of the high intensity onset that appears 0.5 eV higher in energy. The intensity of absorption into the sulfur p-band is found to be of the same magnitude as contributions from defects and disorder. Our findings suggest the need to re-examine the value of the fundamental bandgap of pyrite presently in use in the literature. If the contribution from the p-band has so far been overlooked, the substantially lowered bandgap would partly explain the discrepancy with the OCV. Furthermore, we show that more states appear on the surface within the low energy sulfur p-band, which suggests a mechanism of thermalization into those states that would further prevent extracting electrons at higher energy levels through the surface. Finally, we speculate on whether misidentified states at the conduction band onset may be present in other materials.
Summary Report on Solid-oxide Electrolysis Cell Testing and Development
Idaho National Laboratory (INL) has been researching the application of solid-oxide electrolysis cells (SOECs) for large-scale hydrogen production from steam over a temperature range of 800 to 900°C. From 2003 to 2009, this work was sponsored by the United States Department of Energy Nuclear Hydrogen Initiative, under the Office of Nuclear Energy. Starting in 2010, the high-temperature electrolysis (HTE) research program has been sponsored by the INL Next Generation Nuclear Plant Project. This report provides a summaryof program activities performed in Fiscal Year (FY) 2011 and the first quarter of FY-12, with a focus on small-scale testing and cell development activities. HTE research priorities during this period have included the development and testing of SOEC and stack designs that exhibit high-efficiency initial performance and low, long-term degradation rates. This report includes contributions from INL and five industry partners: Materials and Systems Research, Incorporated (MSRI); Versa Power Systems, Incorporated (VPS); Ceramatec, Incorporated; National Aeronautics and Space Administration - Glenn Research Center (NASA - GRC); and the St. Gobain Advanced Materials Division. These industry partners have developed SOEC cells and stacks for in-house testing in the electrolysis mode and independent testing at INL. Additional fundamental research and post-test physical examinations have been performed at two university partners: Massachusetts Institute of Technology (MIT) and the University of Connecticut. Summaries of these activities and test results are also presented in this report.