Surface temperature determination using long range thermal emission spectroscopy based on a first order scanning Fabry-Pérot interferometer.

Determination of the surface temperature of different materials based on thermographic imaging is a difficult task as the thermal emission spectrum is both temperature and emissivity dependent. Without prior knowledge of the emissivity of the object under investigation, it makes up a temperature-emissivity underdetermined system. This work demonstrates the possibility of recognizing specific materials from hyperspectral thermal images (HSTI) in the wavelength range from 8-14 µm. The hyperspectral images were acquired using a microbolometer sensor array in combination with a scanning 1st order Fabry-Pérot interferometer acting as a bandpass filter. A logistic regression model was used to successfully differentiate between polyimide tape, sapphire, borosilicate glass, fused silica, and alumina ceramic at temperatures as low as 34.0 ± 0.05 °C. Each material was recognized with true positive rates above 94% calculated from individual pixel spectra. The surface temperature of the samples was subsequently predicted using pre-fitted partial least squares (PLS) models, which predicted all surface temperature values with a common root mean square error (RMSE) of 1.10 °C and thereby outperforming conventional thermography. This approach paves the way for a practical solution to the underdetermined temperature-emissivity system.

Novel non-destructive quality assessment techniques of onion bulbs: a comparative study.

This study was designed to compare the performances of four different non-destructive methods of assessing onion quality, one of which was based on near-infrared spectroscopy, and three of which were based on spectral imaging. These methods involve a combination of wavelengths from visible to near-infrared with different acquisition systems that were applied to discriminate between pre-sorted onions by in situ measurements of the onion surface. Compared with the partial least squares discriminant analysis classification models associated with different methods, hyperspectral imaging (HSI) with both static horizontal and rotating orientation obtained a higher level of sensitivity and specificity with a lower classification error than did other methods. Moreover, models built with the reduced variables did not lower the model performances. Overall, these results demonstrate that HSI with selected wavelengths would be useful for further developing an improved real-time system for sorting onion bulbs.

The influence of coronene super-hydrogenation on the coronene-graphite interaction.

The changes in the strength of the interaction between the polycyclic aromatic hydrocarbon, coronene, and graphite as a function of the degree of super-hydrogenation of the coronene molecule are investigated using temperature programmed desorption. A decrease in binding energy is observed for increasing degrees of super-hydrogenation, from 1.78 eV with no additional hydrogenation to 1.43 eV for the fully super-hydrogenated molecule. Density functional theory calculations using the optB88-vdW functional suggest that the decrease in binding energy is mostly due to an increased buckling of the molecule rather than the associated decrease in the number of π-electrons.

High- versus low-quality graphene: a mechanistic investigation of electrografted diazonium-based films for growth of polymer brushes.

Electrografting using aryldiazonium salts provides a fast and efficient technique to functionalize commercially available 3-5 layered graphene (vapour-deposited) on nickel. In this study, Raman spectroscopy is used to quantify the grafting efficiency of cyclic voltammetry which is one of the most versatile, yet simple, electrochemical techniques available. To a large extent the number of defects/substituents introduced to the basal plane of high-quality graphene by this procedure can be controlled through the sweeping conditions employed. After extended electrografting the defect density reaches a saturation level ( ∼ 10(13) cm(-2)) which is independent of the quality of the graphene expressed through its initial content of defects. However, it is reached within fewer voltammetric cycles for low-quality graphene. Based on these results it is suggested that the grafting occurs (a) directly at defect sites for, in particular, low-quality graphene, (b) directly at the basal plane for, in particular, high-quality graphene, and/or (c) at already grafted molecules to give a mushroom-like film growth for all films. Moreover, it is shown that a tertiary alkyl bromide can be introduced at a given surface density to serve as radical initiator for surface-initiated atom transfer radical polymerization (SI-ATRP). Brushes of poly(methyl methacrylate) are grown from these substrates, and the relationship between polymer thickness and sweeping conditions is studied.

Hydrogenation of PAH molecules through interaction with hydrogenated carbonaceous grains.

Carbonaceous materials contribute to a significant proportion of the interstellar dust inventory. Reactions on such grain surfaces are thought to play important roles in interstellar chemical networks. Of particular importance are reactions involving hydrogen atoms, and pathways to the formation of the most abundant molecular species, H2. Polycyclic aromatic hydrocarbons (PAHs) are an additional carbon reservoir, accounting for around 10% of the galactic carbon budget. Using thermal desorption and mass spectrometric techniques, we have investigated the interaction between PAH molecules and carbonaceous grain surfaces. We demonstrate that deuterium atoms adsorbed on graphite can react with adsorbed PAH molecules, forming superhydrogenated PAH species. Furthermore, by considering the number of D-atoms remaining bound to the graphite surface and the additional D-atoms in the observed superhydrogenated species, we see evidence for a significant release of deuterium from the graphite surface. We suggest that further reactive processes may be responsible for part of this deuterium loss, indicating that PAHs adsorbed on hydrogenated carbonaceous grains in warm interstellar environments may serve as a route to release H2 as well as forming superhydrogenated PAH species.

Bandgap opening in graphene induced by patterned hydrogen adsorption.

Graphene, a single layer of graphite, has recently attracted considerable attention owing to its remarkable electronic and structural properties and its possible applications in many emerging areas such as graphene-based electronic devices. The charge carriers in graphene behave like massless Dirac fermions, and graphene shows ballistic charge transport, turning it into an ideal material for circuit fabrication. However, graphene lacks a bandgap around the Fermi level, which is the defining concept for semiconductor materials and essential for controlling the conductivity by electronic means. Theory predicts that a tunable bandgap may be engineered by periodic modulations of the graphene lattice, but experimental evidence for this is so far lacking. Here, we demonstrate the existence of a bandgap opening in graphene, induced by the patterned adsorption of atomic hydrogen onto the Moiré superlattice positions of graphene grown on an Ir(111) substrate.

Acquisition and Analysis of Hyperspectral Thermal Images for Sample Segregation.

This study presents the first results of a new type of hyperspectral imager in the long-wave thermal radiation range from 8.0 to 14.0 µm which is simpler than readily available Fourier transform infrared spectroscopy-based imagers. Conventional thermography images the thermal radiation from hot objects, but an accurate determination of temperature is hampered by the often unknown emissivities of different materials present in the same image. This paper describes the setup and development of a hyperspectral thermal camera based on a low-order scanning Fabry-Pérot interferometer acting as a bandpass filter. A three-dimensional hyperspectral data cube (two spatial and one spectral dimension) was measured by imaging a high-emissivity carbon nanotube-coated surface (Vantablack), black painted aluminum, borosilicate glass, Kapton tape, and bare aluminum. A principal component analysis (PCA) of the hyperspectral thermal image clearly segregates the individual samples. The most distinguishable sample from the PCA is the borosilicate Petri dish of which the Si-O-Si bond in borosilicate glass was the most noticeable. Additionally, it was found that the relatively large 1024 × 768 × 70 data cube can be reduced to a much smaller cube of size 1024 × 768 × 5 containing 92% of the variance in the original dataset. The possibility of discriminating between the samples by their spectroscopic signature was tested using a logistic regression classifier. The model was fitted to a chosen set of principal components obtained from a PCA of the original hyperspectral data cube. The model was used to predict all pixels in the original data cube resulting in estimates with very high true positive rate (TPR). The highest TPR was obtained for borosilicate glass with a value of 99% correctly predicted pixels. The remaining TPRs were 94% for black painted aluminum, 81% for bare aluminum, 79% for Kapton tape, and 70% for Vantablack. A standard thermographic image was acquired of the same objects where it was found that the samples were mutually indistinguishable in this image. This shows that the hyperspectral thermal image contains sample characteristics which are material related and therefore outperforms standard thermography in the amount of information contained in an image.

Vibrational Spectroscopic Characterization and Coherent Anti-Stokes Raman Spectroscopy (CARS) Imaging of Artepillin C.

In the following work, the vibrational spectroscopic characteristics of artepillin C are reported by means of Fourier transform infrared (FT-IR) and Raman spectroscopies, surface-enhanced Raman scattering (SERS), and coherent anti-Stokes Raman scattering (CARS) microscopy. Artepillin C is an interesting compound due to its pharmacological properties, including antitumor activity. It is found as the major component of Brazilian green propolis, a resinous mixture produced by bees to protect their hives against intruders. Vibrational spectroscopic techniques have shown a strong peak at 1599 cm-1, assigned to C=C stretching vibrations from the aromatic ring of artepillin C. From these data, direct visualization of artepillin C could be assessed by means of CARS microscopy, showing differences in the film hydration obtained for its neutral and deprotonated states. Raman-based methods show potential to visualize the uptake and action of artepillin C in biological systems, triggering its interaction with biological systems that are needed to understand its mechanism of action.

Atomic hydrogen adsorbate structures on graphene.

The adsorbate structures of atomic hydrogen on the basal plane of graphene on a SiC substrate is revealed by Scanning Tunneling Microscopy (STM). At low hydrogen coverage the formation of hydrogen dimer structures is observed, while at higher coverage larger disordered clusters are seen. We find that hydrogenation preferentially occurs on the protruding/high tunneling probability areas of the graphene layer modulated by the underlying 6 x 6 reconstruction of SiC. Hydrogenation offers the interesting possibility to manipulate both the electronic and chemical properties of graphene.

Noninvasive Determination of Firmness and Dry Matter Content of Stored Onion Bulbs Using Shortwave Infrared Imaging with Whole Spectra and Selected Wavelengths.

A firm texture of dry onions is important for consumer acceptance. Both the texture and dry matter content decline during storage, influencing the market value of onions. The main goal of this study was to develop predictive models that in future might form the basis for automated sorting of onions for firmness and dry matter content in the industry. Hyperspectral scanning was conducted in reflectance mode for six commercial batches of onions that were monitored three times during storage. Mean spectra from the region of interest were extracted and partial least squares regression (PLSR) models were constructed. Feature wavelengths were identified using variable selection techniques resulting from interval partial least squares and recursive partial least squares analyses. The PLSR model for firmness gave a root mean square error of cross-validation (RMSECV) of 0.84 N, and a root mean square error of prediction (RMSEP) of 0.73 N, with coefficients of determination ( R2) of 0.72 and 0.83, respectively. The RMSECV and RMSEP of the PLSR model for dry matter content were 0.10% and 0.08%, respectively, with a R2 of 0.58 and 0.79, respectively. The whole wavelength range and selected wavelengths showed nearly similar results for both dry matter content and firmness. The results obtained from this study clearly reveal that hyperspectral imaging of onion bulbs with selected wavelengths, coupled with chemometric modeling, can be used for the noninvasive determination of the firmness and dry matter content of stored onion bulbs.

Controlling hydrogenation of graphene on Ir(111).

Combined fast X-ray photoelectron spectroscopy and density functional theory calculations reveal the presence of two types of hydrogen adsorbate structures at the graphene/Ir(111) interface, namely, graphane-like islands and hydrogen dimer structures. While the former give rise to a periodic pattern, dimers tend to destroy the periodicity. Our data reveal distinctive growth rates and stability of both types of structures, thereby allowing one to obtain well-defined patterns of hydrogen clusters. The ability to control and manipulate the formation and size of hydrogen structures on graphene facilitates tailoring of its properties for a wide range of applications by means of covalent functionalization.