Band-like transport in "green" quantum dot films: The effect of composition and stoichiometry.

Two-dimensional quantum dot (QD) arrays are considered as promising candidates for a wide range of applications that heavily rely on their transport properties. Existing QD films, however, are mainly made of either toxic or heavy-metal-based materials, limiting their applications and the commercialization of devices. In this theoretical study, we provide a detailed analysis of the transport properties of "green" colloidal QD films (In-based and Ga-based), identifying possible alternatives to their currently used toxic counterparts. We show how changing the composition, stoichiometry, and the distance between the QDs in the array affects the resulting carrier mobility for different operating temperatures. We find that InAs QD films exhibit high carrier mobilities, even higher compared to previously modeled CdSe (zb) QD films. We also provide the first insights into the transport properties of properly passivated InP and GaSb QD films and envisage how realistic systems could benefit from those properties. Ideally passivated InP QD films can exhibit mobilities an order of magnitude larger compared to what is presently achievable experimentally, which show the smallest variation with (i) increasing temperature when the QDs in the array are very close and (ii) an increasing interdot distance at low operating temperatures (70 K), among the materials considered here, making InP a potentially ideal replacement for PbS. Finally, we show that by engineering the QD stoichiometry, it is possible to enhance the film's transport properties, paving the way for the synthesis of higher performance devices.

Evaluation of Dynamic Spinal Morphology and Core Muscle Activation in Cyclists-A Comparison between Standing Posture and on the Bicycle.

(1) Background: Cycling is characterized by a sustained sitting posture on the bicycle, where physiologic spinal curvatures are modified from standing to cycling. Therefore, the main objective was to evaluate and compare the morphology of the spine and the core muscle activity in standing posture and cycling at low intensity. (2) Methods: Twelve competitive cyclists participated in the study. Spinal morphology was evaluated using an infrared-camera system. Muscle activation was recorded using a surface electromyography device. (3) Conclusions: The lumbar spine changes its morphology from lordosis in standing to kyphosis (lumbar flexion) when pedaling on the bicycle. The sacral tilt significantly increases its anterior tilt when cycling compared to when standing. The spinal morphology and sacral tilt are dynamic depending on the pedal's position during the pedal stroke quadrants. The infraspinatus, latissimus dorsi, external oblique, and pectoralis major showed significantly higher activation pedaling than when standing, although with very low values.

Algebraic Reconstruction Technique for Diffusion NMR Experiments. Application to the Molecular Weight Prediction of Polymers.

Most of the algorithms employed in diffusion NMR are optimization methods based on diverse regularized methods such as Tikhonov's, which decomposes the multiexponential detected signal attenuation as a sum of mono exponential signals. Our approach uses projections over hyperplanes of the Hilbert space using a Laplace transform kernel, which is a special case of projection onto convex sets. This new application of an algebraic reconstruction technique for diffusion NMR experiments (dART) has been applied for the first time in both simulated and real systems, and then compared with established methods such as ITAMeD and TRAIn. The new algorithm provides excellent results in systems with overlapped signals and more importantly performs more rapidly than any other one assayed. One of the main advantages is that the reported method does not need a regularization parameter, which allows one to explore the largest spaces. In addition, we have provided the calibration curve for weight-average Mw prediction of poly(propylene) polymers with no dependence on the solvent used.

New strategies for colloidal-quantum-dot-based intermediate-band solar cells.

The intermediate-band solar cell (IBSC) concept promises to increase the efficiency limit in a single-junction solar cell through the absorption of below-bandgap-energy photons. Despite their operating principle having been proposed over 20 years ago, IBSCs have not delivered on this promise yet, and the devices fabricated so far, mainly based on embedded epitaxial quantum dots, have instead operated with lower efficiency than conventional solar cells. A new paradigm, based on the exploitation as the intermediate band of the intragap states naturally occurring in the density functional theory description of colloidal (i.e., chemically synthesized) quantum dots, was suggested recently. Here, we revisit this intriguing concept unveiling its shortcomings and propose two alternative schemes: in the first, the localized electron surface trap states, ubiquitously found in commonly synthesized colloidal quantum dots, are used as intermediate bands in strongly coupled films made of small InAs nanocrystals and, in the second scheme, the intermediate band is provided by the conduction-band-minimum-derived miniband in films of larger InAs nanocrystals. Both schemes yield estimated limiting IBSC efficiencies exceeding Shockley-Queisser's limit for a single absorber.

An Open Hardware Design for Internet of Things Power Quality and Energy Saving Solutions.

An important challenge for our society is the transformation of traditional power systems to a decentralized model based on renewable energy sources. In this new scenario, advanced devices are needed for real-time monitoring and control of the energy flow and power quality (PQ). Ideally, the data collected by Internet of Thing (IoT) sensors should be shared to central cloud systems for online and off-line analysis. In this paper openZmeter (oZm) is presented as an advanced low-cost and open-source hardware device for high-precision energy and power quality measurement in low-voltage power systems. An analog front end (AFE) stage is designed and developed for the acquisition, conditioning, and processing of power signals. This AFE can be stacked on available quadcore embedded ARM boards. The proposed hardware is capable of adapting voltage signals up to 800 V AC/DC and currents up to thousands of amperes using different probes. The oZm device is described as a fully autonomous open-source system for the computation and visualization of PQ events and consumed/generated energy, along with full details of its hardware implementation. It also has the ability to send data to central cloud management systems. Given the small size of the hardware design and considering that it allows measurements under a wide range of operating conditions, oZm can be used both as bulk metering or as metering/submetering device for individual appliances. The design is released as open hardware and therefore is presented to the community as a powerful tool for general usage.

Wearable System for Biosignal Acquisition and Monitoring Based on Reconfigurable Technologies.

Wearable monitoring devices are now a usual commodity in the market, especially for the monitoring of sports and physical activity. However, specialized wearable devices remain an open field for high-risk professionals, such as military personnel, fire and rescue, law enforcement, etc. In this work, a prototype wearable instrument, based on reconfigurable technologies and capable of monitoring electrocardiogram, oxygen saturation, and motion, is presented. This reconfigurable device allows a wide range of applications in conjunction with mobile devices. As a proof-of-concept, the reconfigurable instrument was been integrated into ad hoc glasses, in order to illustrate the non-invasive monitoring of the user. The performance of the presented prototype was validated against a commercial pulse oximeter, while several alternatives for QRS-complex detection were tested. For this type of scenario, clustering-based classification was found to be a very robust option.

Colour profile analysis of Port wines by various instrumental and visual methods.

BACKGROUND: Wine colour is an important quality parameter, being the first sensorial attribute evaluated during wine tasting. The perception of wine colour can be different depending on many factors, including the depth of the sample under observation. The main objectives of the present study were to measure the colour of Port wines using CIE L*, a*, b* parameters at different depths with various instrumental techniques (spectrophotometry and colorimetry), and to compare the obtained results with the sensory (visual) perception of colour samples. RESULTS: Representative profiles of lightness (L*), hue (H*) and chroma (C*) at different depths were obtained using Port wine samples from various categories and ages. In general, relatively good correlations between the colorimetric and spectrophotometric methods were obtained for the L* and H* parameters. The results of the sensory tests also showed good correlations between the visually assessed hue scores and the colorimetric measurements of the H* parameter, particularly at the lower depths tested (up to 4.0 mm). CONCLUSIONS: Overall, the results indicate that the colorimetric method can be used for estimating wine colour parameters, providing useful information about the colour profile of wines at different depths. © 2019 Society of Chemical Industry.

Molecular weight prediction in polystyrene blends. Unprecedented use of a genetic algorithm in pulse field gradient spin echo (PGSE) NMR.

A genetic algorithm that uses boxcar functions (diffGA) has been applied for the first time in PGSE NMR. It reconstructs accurate diffusion coefficients for all the components of the mixture, and therefore predicts correct weight-average molecular weights for all of them. The results reported herein complement those obtained with established methods such as ITAMeD, CONTIN and TRAIn algorithms, and provide a detailed solution picture. Its robustness and limits have been stretched in order to ascertain the minimum separation within diffusion coefficients or relative proportion between components. In addition, the new genetic algorithm has been also applied to a mixture of small molecules, providing excellent results at very low computational times.

Dinuclear Coordination Compounds Based on a 5-Nitropicolinic Carboxylate Ligand with Single-Molecule Magnet Behavior.

Isostructural dinuclear dysprosium and yttrium coordination compounds based on the 5-nitropicolinic carboxylate ligand were synthesized and characterized. The formation of these air-stable complexes is achieved via solvothermal routes employing water as the reaction solvent. The dysprosium-based complex exhibits single-molecule magnet behavior with frequency dependence of the out-of-phase susceptibility at zero direct-current field. High-resolution mass spectrometry (electrospray ionization) experiments and advanced NMR methods including diffusion NMR techniques were applied on the diamagnetic yttrium analogue and established that these species retained their solid-state structure in solution with hydrodynamic radii of 6.5 Å. Full 1H, 13C, 15N, 89Y, Δ1Hcoord, Δ13Ccoord, and Δ15Ncoord NMR data are given, and through the analysis of the Ramsey equation, the first electronic insights of these derivatives are provided.

Activity of lysozyme on Lactobacillus hilgardii strains isolated from Port wine.

This work evaluated the effect of lysozyme on lactobacilli isolated from Port wine. Bacterial growth experiments were conducted in MRS/TJ medium and inactivation studies were performed in phosphate buffer (KH2PO4), distilled water and wine supplemented with different concentrations of lysozyme. The response of bacteria to lysozyme was found to be highly strain dependent. Some strains of Lactobacillus hilgardii together with Lactobacillus collinoides and Lactobacillus fructivorans were found to be resistant to concentrations of lysozyme as high as 2000 mg/L. It was observed that among the L. hilgardii taxon the resistant strains possess an S-layer coat. Apparently, the strains of L. collinoides and L. fructivorans studied are also S-layer producers as suggested by the total protein profile obtained by SDS-PAGE. Thus, the hypothetical protective role of the S-layer against the action of lysozyme was investigated. From the various treatments used to remove the protein from the surface of the cells, the one employing LiCl (5 M) was the most effective. LiCl pre-treated cells exposed to lysozyme (2000 mg/L) in KH2PO4 buffer maintained its resistance. However, when cells were suspended in distilled water an increased sensitivity to lysozyme was observed. Moreover, it was found that the addition of ethanol (20% v/v) to the suspension medium (distilled water) triggered a strong inactivation effect especially on cells previously treated with LiCl (reduction of >6 CFU log cycles). The results suggest that the S-layer exerts a protective effect against lysozyme and that the cell suspension medium influences the bacteriolysis efficiency. It was also noted that ethanol enhances the inactivation effect of lysozyme.

Production of volatile phenols by Lactobacillus plantarum in wine conditions.

Some lactic acid bacteria produce volatile phenols in culture medium but this activity has not been extensively studied in wine conditions. Red and white wines were mixed with MRS medium at different ratios to study the influence of wine on the metabolism of p-coumaric and ferulic acids by Lactobacillus plantarum. In MRS broth supplemented with these precursors at 10 mg l(-1), only 4-ethylphenol was produced (1 mg l(-1)) while, in the presence of wine, 4-vinylphenol was also obtained. Both volatile phenols are produced in nearly equal amounts (1 mg l(-1)) or almost only 4-vinylphenol depending on the MRS:wine ratio. Thus, wine favours the accumulation of 4-vinylphenol. Ferulic acid was not or was weakly metabolized in the conditions studied.

Universal trapping mechanism in semiconductor nanocrystals.

Size tunability of the optical properties and inexpensive synthesis make semiconductor nanocrystals one of the most promising and versatile building blocks for many modern applications such as lasers, single-electron transistors, solar cells, and biological labels. The performance of these nanocrystal-based devices is however compromised by efficient trapping of the charge carriers. This process exhibits different features depending on the nanocrystal material, surface termination, size, and trap location, leading to the assumption that different mechanisms are at play in each situation. Here we revolutionize this fragmented picture and provide a unified interpretation of trapping dynamics in semiconductor nanocrystals by identifying the origins of this so far elusive detrimental process. Our findings pave the way for a general suppression strategy, applicable to any system, which can lead to a simultaneous efficiency enhancement in all nanocrystal-based technologies.

Hole surface trapping in CdSe nanocrystals: dynamics, rate fluctuations, and implications for blinking.

Carrier trapping is one of the main sources of performance degradation in nanocrystal-based devices. Yet the dynamics of this process is still unclear. We present a comprehensive investigation into the efficiency of hole transfer to a variety of trap sites located on the surface of the core or the shell or at the core/shell interface in CdSe nanocrystals with both organic and inorganic passivation, using the atomistic semiempirical pseudopotential approach. We separate the contribution of coupling strength and energetics in different systems and trap configurations, obtaining useful general guidelines for trapping rate engineering. We find that trapping can be extremely efficient in core-only systems, with trapping times orders of magnitude faster than radiative recombination. The presence of an inorganic shell can instead bring the trapping rates well below the typical radiative recombination rates observed in these systems.

Effect of incremental intensities on the spinal morphology and core muscle activation in competitive cyclists.

Cycling is a sport where cyclists predominantly adopt a sitting posture, with the trunk tilted forward. This posture requires a high volume of training and duration in several intensities of effort. This study aims to: 1) evaluate the behaviour of the thoracic and lumbar spine flexion and sacral inclination in the sagittal plane, the thoracic and lumbar spine flexion in the frontal plane, and the trunk torsion in the transverse plane; 2) compare the activation of the core muscles as the intensity of effort increases during an incremental test in cycling, and 3) identify which core muscle has a greater activation in each intensity zone. The spinal posture and the activation of the eight core muscles were evaluated in twelve competitive cyclists during incremental cycling intensities. Thoracic and lumbar spine flexion and sacral inclination statistically increased as the intensity of effort increased (Start < VT1 < VT2 < VO2max). A significant increase in muscle activation was observed in all core muscles evaluated as the intensity increased. The rectus abdominis showed statistically significant greater muscle activation than the other core muscles evaluated. In conclusion, as the intensity of effort in cycling increases, cyclists significantly increase the thoracic and lumbar spine flexion, the sacral inclination in the sagittal plane, the thoracic and lumbar spine flexion in the frontal plane, trunk rotation in the transverse plane, as well as the activation of the core muscles.

New mathematical model based on geometric algebra for physical power flow in theoretical two-dimensional multi-phase power circuits.

This study proposes an explanation for the physical power flow in planar circuits by analogy to theoretical two-dimensional circuits using a new mathematical model based on Geometric Algebra (GA) and 2D Maxwell's equations. In contrast with traditional 3D physics in the observable real world, the magnetic field can be defined as a bivector instead of an axial vector allowing to obtain the Poynting Vector directly in a 2D flat world, where physical variables of planar circuits can be obtained. This approach is presented here for the first time to the best of the author's knowledge. Previous investigations have focused on simplifications and symmetries of real 3D circuits studied mainly in the phasor and frequency domain. In this work, the electromagnetic power flow phenomenon is analyzed on a completely 2D time-domain basis and derived directly from the undisputed Maxwell equations, formulated in two dimensions. Several cases of special interest in AC multi-phase circuits are presented using the proposed technique, bringing a new simplified approach to the measurement of power flow exchange between the source and the load. It suggests a new way to understand energy propagation from a purely physical point of view.

Thermoplastic starch/polyvinyl alcohol blends modification by citric acid-glycerol polyesters.

Thermoplastic starch/polyvinyl alcohol (TPS/PVA) films have limitations for being used in long-term applications due to starch retrogradation. This leads to plasticizer migration, especially when low molecular weight plasticizers such as glycerol, are used. In this work, we employed mixtures of oligomers based on glycerol citrates with higher molecular weight than glycerol as plasticizers for potato-based TPS/PVA blends obtained by melt-mixing. This constitutes an alternative to reduce plasticizer migration while keeping high swelling degree, and to provide high mechanical performance. The novelty lies in the usage of these oligomers by melt-mixing technique, aspect not deeply explored previously and that represents the first step towards industrial scalability. Prior to the blending process, oligomers mixtures were prepared with different molar ratios of citric acid (0-40 mol%) and added them. This minimizes the undesirable hydrolysis effect of free carboxylic groups on starch chains. The results demonstrated that the migration of plasticizers in TPS/PVA blends decreased by up to 70 % when the citric acid content increased. This reduction was attributed to the higher molecular weight (the majority in the range 764-2060 Da) and the 3D structure of the oligomers compared to using raw glycerol. Furthermore, the films exhibited a 150 % increase in Young's modulus and tensile strength without a reduction in elongation at break, while maintaining a high gel content, due to a moderate crosslinking.

Thermally driven nanofuses based on organometallic rotors.

Molecular design of chromium arenes are theoretically studied as a model for the development of novel thermally-driven molecular fuses. This study correlates the switching event with a partial disconnection of the molecule from the metallic electrode mediated by changes in the conformational states of the molecule directed by external stimuli. Moreover, the reversibility of the process (the reconnection to the metallic electrode) is also considered for these systems when a reversal voltage pulse (reset) is applied. The energetic requirements of the on and off states are correlated with temperature through the Arrhenius equation. To carry out this study we performed density functional theory (DFT) calculations.

Influence of the number of anchoring groups on the electronic and mechanical properties of benzene-, anthracene- and pentacene-based molecular devices.

One of the central issues of molecular electronics (ME) is the study of the molecule-metal electrode contacts, and their implications for the conductivity, charge-transport mechanism, and mechanical stability. In fact, stochastic on/off switching (blinking) reported in STM experiments is a major problem of single-molecule devices, and challenges the stability and reliability of these systems. Surprisingly, the ambiguous STM results all originate from devices that bind to the metallic electrode through a one-atom connection. In the present work, DFT is employed to study and compare the properties of a set of simple acenes that bind to metallic electrodes with an increasing number of connections, in order to determine whether the increasing numbers of anchoring groups have a direct repercussion on the stability of these systems. The conductivities of the three polycyclic aromatic hydrocarbons are calculated, as well as their transmission spectra and current profiles. The thermal and mechanical stability of these systems is studied by pulling and pushing the metal-molecule connection. The results show that molecules with more than one connection per electrode exhibit greater electrical efficiency and current stability.

Optical Absorption in N-Dimensional Colloidal Quantum Dot Arrays: Influence of Stoichiometry and Applications in Intermediate Band Solar Cells.

We present a theoretical atomistic study of the optical properties of non-toxic InX (X = P, As, Sb) colloidal quantum dot arrays for application in photovoltaics. We focus on the electronic structure and optical absorption and on their dependence on array dimensionality and surface stoichiometry motivated by the rapid development of experimental techniques to achieve high periodicity and colloidal quantum dot characteristics. The homogeneous response of colloidal quantum dot arrays to different light polarizations is also investigated. Our results shed light on the optical behaviour of these novel multi-dimensional nanomaterials and identify some of them as ideal building blocks for intermediate band solar cells.

Tuning the Radiative Lifetime in InP Colloidal Quantum Dots by Controlling the Surface Stoichiometry.

InP nanocrystals exhibit a low photoluminescence quantum yield. As in the case of CdS, this is commonly attributed to their poor surface quality and difficult passivation, which give rise to trap states and negatively affect emission. Hence, the strategies adopted to improve their quantum yield have focused on the growth of shells, to improve passivation and get rid of the surface states. Here, we employ state-of-the-art atomistic semiempirical pseudopotential modeling to isolate the effect of surface stoichiometry from features due to the presence of surface trap states and show that, even with an atomistically perfect surface and an ideal passivation, InP nanostructures may still exhibit very long radiative lifetimes (on the order of tens of microseconds), broad and weak emission, and large Stokes' shifts. Furthermore, we find that all these quantities can be varied by orders of magnitude, by simply manipulating the surface composition, and, in particular, the number of surface P atoms. As a consequence it should be possible to substantially increase the quantum yield in these nanostructures by controlling their surface stoichiometry.