Charge migration in organic materials: Can propagating charges affect the key physical quantities controlling their motion?

Charge migration is a ubiquitous phenomenon with profound implications throughout many areas of chemistry, physics, biology and materials science. The long-term vision of designing functional materials with tailored molecular scale properties has triggered an increasing quest to identify prototypical systems where truly molecular conduction pathways play a fundamental role. Such pathways can be formed due to the molecular organization of various organic materials and are widely used to discuss electronic properties at the nanometer scale. Here, we present a computational methodology to study charge propagation in organic molecular stacks at nano and sub-nanoscales and exploit this methodology to demonstrate that moving charge carriers strongly affect the values of the physical quantities controlling their motion. The approach is also expected to find broad application in the field of charge migration in soft matter systems.Comment: 18 pages, 6 figures, accepted for publication in the Israel Journal of Chemistr

Big Data on Decision Making in Energetic Management of Copper Mining

Indexado en: Web of Science; Scopus.It is proposed an analysis of the related variables with the energetic consumption in the process of concentrate of copper; specifically ball mills and SAG. The methodology considers the analysis of great volumes of data, which allows to identify the variables of interest (tonnage, temperature and power) to reach to an improvement plan in the energetic efficiency. The correct processing of the great volumen of data, previous imputation to the null data, not informed and out of range, coming from the milling process of copper, a decision support systems integrated, it allows to obtain clear and on line information for the decision making. As results it is establish that exist correlation between the energetic consumption of the Ball and SAG Mills, regarding the East, West temperature and winding. Nevertheless, it is not observed correlation between the energetic consumption of the Ball Mills and the SAG Mills, regarding to the tonnages of feed of SAG Mill. In consequence, From the experimental design, a similarity of behavior between two groups of different mills was determined in lines process. In addition, it was determined that there is a difference in energy consumption between the mills of the same group. This approach modifies the method presented in [1].(a)http://www.univagora.ro/jour/index.php/ijccc/article/view/2784/106

Conductance of a molecular junction mediated by unconventional metal-induced gap states

The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the highest-occupied and lowest-unoccupied molecular-orbital gap. Here, we present an alternative mechanism where electron transport is dominated by electrode surface states. They give rise to metallization of the molecular bridge and additional, pronounced conductance resonances allowing for substantial tailoring of its electronic properties via, e.g. a gate voltage. This is demonstrated in a field-effect geometry of a fullerene-bridge between two metallic carbon nanotubes.Comment: 7 pages, 5 figures included; to be published in Europhys. Let

Studies of CMB structure at Dec=40. II: Analysis and cosmological interpretation

We present a detailed analysis of the cosmic microwave background structure in the Tenerife Dec=+40 degrees data. The effect of local atmospheric contributions on the derived fluctuation amplitude is considered, resulting in an improved separation of the intrinsic CMB signal from noise. Our analysis demonstrates the existence of common structure in independent data scans at 15 and 33 GHz. For the case of fluctuations described by a Gaussian auto-correlation function, a likelihood analysis of our combined results at 15 and 33 GHz implies an intrinsic rms fluctuation level of 48^{+21}_{-15} uK on a coherence scale of 4 degrees; the equivalent analysis for a Harrison-Zel'dovitch model gives a power spectrum normalisation of Q_{rms-ps} = 22^{+10}_{-6} uK. The fluctuation amplitude is seen to be consistent at the 68% confidence level with that reported for the COBE two-year data for primordial fluctuations described by a power law model with a spectral index in the range 1.0 \le n \le 1.6. This limit favours the large scale CMB anisotropy being dominated by scalar fluctuations rather than tensor modes from a gravitational wave background. The large scale Tenerife and COBE results are considered in conjunction with observational results from medium scale experiments in order to place improved limits on the fluctuation spectral index; we find n=1.10 +/- 0.10 assuming standard CDM with H_{0}=50 kms^{-1}Mpc^{-1}.Comment: 10 pages LaTeX, including 8 PostScript figures. Accepted for publication in MNRA

CMB observations with the Jodrell Bank - IAC interferometer at 33 GHz

The paper presents the first results obtained with the Jodrell Bank - IAC two-element 33 GHz interferometer. The instrument was designed to measure the level of the Cosmic Microwave Background (CMB) fluctuations at angular scales of 1 - 2 degrees. The observations analyzed here were taken in a strip of the sky at Dec = +41 deg with an element separation of 16.7 lambda, which gives a maximum sensitivity to ~1.6 deg structures on the sky. The data processing and calibration of the instrument are described. The sensitivity achieved in each of the two channels is 7 micro K per resolution element. A reconstruction of the sky at Dec = +41 deg using a maximum entropy method shows the presence of structure at a high level of significance. A likelihood analysis, assuming a flat CMB spatial power spectrum, gives a best estimate of the level of CMB fluctuations of Delta Tl = 43 (+13,-12) micro K for the range l = 109 +/- 19; the main uncertainty in this result arises from sample variance. We consider that the contamination from the Galaxy is small. These results represent a new determination of the CMB power spectrum on angular scales where previous results show a large scatter; our new results are in agreement with the theoretical predictions of the standard inflationary cold dark matter models.Comment: 11 pages, 11 figures. Web site at http://www.jb.man.ac.uk/research/cmb/ Accepted for publication in MNRA

The Tenerife Cosmic Microwave Background Maps: Observations and First Analysis

The results of the Tenerife Cosmic Microwave Background (CMB) experiments are presented. These observations cover 5000 and 6500 square degrees on the sky at 10 and 15 GHz respectively centred around Dec.~ +35 degrees. The experiments are sensitive to multipoles l=10-30 which corresponds to the Sachs-Wolfe plateau of the CMB power spectra. The sensitivity of the results are ~31 and \~12 microK at 10 and 15 GHz respectively in a beam-size region (5 degrees FWHM). The data at 15 GHz show clear detection of structure at high Galactic latitude; the results at 10 GHz are compatible with these, but at lower significance. A likelihood analysis of the 10 and 15 GHz data at high Galactic latitude, assuming a flat CMB band power spectra gives a signal Delta T_l=30+10-8 microK (68 % C.L.). Including the possible contaminating effect due to the diffuse Galactic component, the CMB signal is Delta T_l=30+15-11 microK. These values are highly stable against the Galactic cut chosen. Assuming a Harrison-Zeldovich spectrum for the primordial fluctuations, the above values imply an expected quadrupole Q_RMS-PS=20+10-7 microK which confirms previous results from these experiments, and which are compatible with the COBE DMR.Comment: 17 pages, 7 figures. Submitted to Ap

Reversible Fluorination of Graphene: towards a Two-Dimensional Wide Bandgap Semiconductor

We report the synthesis and evidence of graphene fluoride, a two-dimensional wide bandgap semiconductor derived from graphene. Graphene fluoride exhibits hexagonal crystalline order and strongly insulating behavior with resistance exceeding 10 G$\Omega$ at room temperature. Electron transport in graphene fluoride is well described by variable-range hopping in two dimensions due to the presence of localized states in the band gap. Graphene obtained through the reduction of graphene fluoride is highly conductive, exhibiting a resistivity of less than 100 k$\Omega$ at room temperature. Our approach provides a new path to reversibly engineer the band structure and conductivity of graphene for electronic and optical applications.Comment: 7 pages, 5 figures, revtex, to appear in PR