Materials Literature
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O1s core level binding energies of oxygen atoms in bulk ZnO, at different ZnO surfaces, and in some Zn oxo compounds were calculated by means of wave function based quantum chemical ab initio methods. Initial and final state effects were obtained by Koopmans' theorem and at the DeltaSCF level, respectively. After corr…
A hybrid aqueous electrochemical supercapacitor technology is presented in which activated carbon was used as a negative electrode and a lithium-ion intercalated compound Li Mn 2 O 4 as a positive electrode in a neutral Li 2 S O 4 aqueous electrolyte. The charge/discharge process is associated with the transfer of a L…
We investigate phase stability of several nickel hydroxides from first-principles. Hydrogen removal from is predicted to occur through a biphasic reaction to involving a change in the stacking sequence from T1 [for ] to P3 (for ). Further topotactic removal of hydrogen from can only occur after a step in a range betwe…
Solid oxide fuel cells produced at Risø National Laboratory have been tested as electrolysis cells by applying an external voltage.Results on initial performance and durability of such reversible solid oxide cells at temperatures from 750 to 950°C and current densities from -0.25 A/cm 2 to -0.50 A/cm 2 are reported.Th…
Pseudocapacitive charge-storage reaction of in several aqueous alkali and alkaline salts solutions, including , , , , and , has been studied on fine-grained thin films and particles which possess the -type crystal structure. In situ synchrotron X-ray diffraction analysis shows that charge transfer at Mn sites upon red…
The degradation behavior of anode supported solid oxide fuel cells (SOFCs) was investigated as a function of operating temperature and current density. Degradation rates were defined and shown to be mainly dependent on the cell polarization. The combination of a detailed evaluation of electrochemical properties by imp…
Weak intermolecular forces like dipolar interactions and hydrogen-bonding lead to a variety of different packing arrangements of molecules in crystals and self-assemblies. Such differences in the arrangements change the extent of excitonic splitting and excitation spectra in the multichromophore aggregates. In this tu…
We study experimentally the dynamic tunability and self-induced nonlinearity of split-ring resonators incorporating variable capacitance diodes. We demonstrate that the eigenfrequencies of the resonators can be tuned over a wide frequency range, and significantly, we show that the self-induced nonlinear effects observ…
This paper develops and analyzes some fully discrete finite element methods for a parabolic system consisting of the Navier--Stokes equations and the Cahn--Hilliard equation, which arises as a diffuse interface model for the flow of two immiscible and incompressible fluids. In the model the two sets of equations are c…
This review describes recent advances in the development of thiazyl radicals, particularly dithiadiazolyl (RCNSSN) and dithiazolyl (RCSNSCR) as molecule-based materials. Particular emphasis is placed on their potential applications as molecular conductors, magnets and switchable materials and incorporates an overview…
Polyoxometalate compounds continue to be widely studied due to their relevance in various fields such as catalysis or magnetochemistry. In this article, we will focus on two topics we recently developed, the functionalization of rare earth polyoxometalates by organic ligands, which has led to compounds ranging from ma…
Various ordered nanoporous alumina films with arbitrary pore intervals from were fabricated on aluminum by a critical-potential anodization approach with sulfuric, phosphoric, oxalic, glycolic, tartaric, malic, and citric acid electrolytes under . The pore intervals of the porous alumina films were linearly proportion…
Chemistry has generally been associated with inorganic and organic syntheses, metal-organic composites, coordinate metal chemistry, catalyses, block copolymer, coating, thin film, industrial surfactants and small-molecule drug development. That is about to change. Chemistry will also expand to the discovery and fabric…
NRC publication: Yes
Chromium Poisoning of Perovskite Cathodes by the ODS Alloy Cr5Fe1Y2O3 and the High Chromium Ferritic Steel Crofer22APU, Konysheva, E., Penkalla, H., Wessel, E., Mertens, J., Seeling, U., Singheiser, L., Hilpert, K.
We present an overview of the physical properties of spider silks, and introduce a model designed to study the energy absorbed by the material as it stretches before breaking. Of particular interest are the inter- and intramolecular hydrogen bonds as well as the role of water in modifying the material properties of si…
We focus on the preparation of hybrid polymer/zinc oxide (ZnO) solar cells, in which the metal oxide consists of ZnO columnar structures grown perpendicularly on a flat, dense “backing” layer, as a means to provide a direct and ordered path for photogenerated electrons to the collecting electrode. We used scanning ele…
The past few decades have seen an escalation of power densities in electronic devices, and in particular in microprocessor chips. Together with the continuing trend of reduction in device dimensions this has led to dramatic increase in the thermal issues within electronic circuits. Thermal management is therefore beco…
Freestanding silicon nanoparticles (FS-nc-Si) have intriguing chemical and optical properties. The present contribution outlines known synthetic methodologies and protocols for surface functionalization. Recent advancements in tailoring the photoluminescence properties of FS-nc-Si and future research directions will b…
The influence of fuel impurity on power generation characteristics of solid oxide fuel cells (SOFCs) has been analyzed by measuring cell voltage at a constant current density, as a function of concentration, operational temperature, and fuel gas composition. Reversible cell voltage change was observed around , while f…