Crystal structure and electronic states of tripotassium picene

The crystal structure of potassium doped picene with an exact stoichiometry (K3C22H14, K3picene from here onwards) has been theoretically determined within Density Functional Theory allowing complete variational freedom of the crystal structure parameters and the molecular atomic positions. A modified herringbone lattice is obtained in which potassium atoms are intercalated between two paired picene molecules displaying the two possible orientations in the crystal.Along the c-axis, organic molecules alternate with chains formed by three potassium atoms. The electronic structureof the doped material resembles pristine picene, except that now the bottom of the conduction band is occupied by six electrons coming from the ionized K atoms (six per unit cell). Wavefunctions remain based mainly on picene molecular orbitals getting their dispersion from intralayer edge to face CH/pi bonding, while eigenenergies have been modified by the change in the electrostatic potential. The small dispersion along the c-axis is assigned to small H-H overlap. From the calculated electronic density of states we expect metallic behavior for potassium doped picene.Comment: Published version: 8 twocolumn pages, 7 color figures, 2 structural .cif files include

Dynamics of Holes and Universality Class of the Antiferromagnetic Transition in the Two Dimensional Hubbard Model

The dynamics of a single hole (or electron) in the two dimensional Hubbard model is investigated. The antiferromagnetic background is described by a N\`eel state, and the hopping of the carrier is analyzed within a configuration interaction approach. Results are in agreement with other methods and with experimental data when available. All data are compatible with the opening of a mean field gap in a Fermi liquid of spin polarons, the so called Slater type of transition. In particular, this hypothesis explains the unusual dispersion relation of the quasiparticle bands near the transition. Recent photoemission data for Ca$_2$CuO$_2$Cl$_2$ are analyzed within this context.Comment: New results and comparison with recent data adde

Assessment of the application of advanced technologies to subsonic CTOL transport aircraft

Design studies of the application of advanced technologies to future transport aircraft were conducted. These studies were reviewed from the perspective of an air carrier. A fundamental study of the elements of airplane operating cost was performed, and the advanced technologies were ranked in order of potential profit impact. Recommendations for future study areas are given

Performance of cultivars, hybrids and composites of winter wheat (Triticum aestivum L. em Thell) grown at three locations

The objective of this study was to compare three genetically different groups of winter wheat for their grain yield. Experimental material consisted of parental lines grown in pure stands, hybrids, and 1:1 mixtures of the parental combinations. Three sites were employed to evaluate possible interactions between the different groups across locations. Phenotypic correlations among selected agronomic traits and grain yield within each group along with the expression of heterosis and heterobeltiosis in the hybrids were studied. Results of this investigation support the general conclusion reached by other investigators that hybrids and composites are not consistently superior to the best conventional cultivars of wheat for grain yield. However, at the Moro site, with the greater environmental stresses, some hybrids and composites appeared to yield more than the parental lines grown in pure stands. At Pendleton, the best environment for yield expression, the hybrids and conventional cultivars did not differ for grain yield. At this location, the best hybrids and one composite did significantly outyield the commercial cultivars Stephens, Malcolm and Hill, but not four advanced parental selections when grown in pure stands. Low to moderate values of heterosis and heterobeltiosis for grain yield were found. The degree of expression being affected by the specific growing site. Plant height and the number of kernels per spike showed relatively higher values for heterosis and heterobeltiosis over locations when compared to the other traits. Phenotypic correlations suggested that a breeding program to develop hybrid wheat should combine high number of kernels per spike with high kernel weight. The positive correlation between grain yield and plant height indicated that increases in grain yield could be obtained by increasing plant height if lodging did not present a problem

Zinc oxide as an ozone sensor

Journal of Applied Physics, Vol. 96, nº3This work presents a study of intrinsic zinc oxide thin film as ozone sensor based on the ultraviolet sUVd photoreduction and subsequent ozone re oxidation of zinc oxide as a fully reversible process performed at room temperature. The films analyzed were produced by spray pyrolysis, dc and rf magnetron sputtering. The dc resistivity of the films produced by rf magnetron sputtering and constituted by nanocrystallites changes more than eight orders of magnitude when exposed to an UV dose of 4 mW/cm2. On the other hand, porous and textured zinc oxide films produced by spray pyrolysis at low substrate temperature exhibit an excellent ac impedance response where the reactance changes by more than seven orders of magnitude when exposed to the same UV dose, with a response frequency above 15 kHz, thus showing improved ozone ac sensing discrimination

Fault-controlled and stratabound dolostones in the Late Aptian-earliest Albian Benassal Formation (Maestrat Basin, E Spain) : petrology and geochemistry constrains

This study was developed under the ExxonMobil FC2 Alliance (Fundamental Controls on Flow in Carbonates). The authors wish to thank ExxonMobil Production Company and ExxonMobil Upstream Research Company for providing funding. The views in this article by Sherry L. Stafford are her own and not necessarily those of ExxonMobil. This research was supported by the Sedimentary Geology Research Group of the Generalitat de Catalunya (2014SGR251). We would like to thank Andrea Ceriani and Paola Ronchi for their critical and valuable reviews, and Associated Editor Piero Gianolla for the editorial work.Peer reviewedPostprin