Introducing the Novel Mixed Gaussian-Lorentzian Lineshape in the Analysis of the Raman Signal of Biochar

In this research, an innovative procedure is proposed to elaborate Raman spectra obtained from nanostructured and disordered solids. As a challenging case study, biochar, a bio-derived carbon based material, was selected. The complex structure of biochar (i.e., channeled surface, inorganic content) represents a serious challenge for Raman characterization. As widely reported, the Raman spectra are closely linked to thermal treatments of carbon material. The individual contributions to the Raman spectra are difficult to identify due to the numerous peaks that contribute to the spectra. To tackle this problem, we propose a brand new approach based on the introduction, on sound theoretical grounds, of a mixed Gaussian-–Lorentzian lineshape. As per the experimental part, biochar samples were carbonized in an inert atmosphere at various temperatures and their respective spectra were successfully decomposed using the new lineshape. The evolution of the structure with carbonization temperature was investigated by Raman and XRD analysis. The results of the two techniques fairly well agree. Compared to other approaches commonly reported in the literature this method (i) gives a sounder basis to the lineshape used in disordered materials, and (ii) appears to reduce the number of components, leading to an easier understanding of their origin.

Breit-Wigner-Fano Lineshape Analysis of the angential G-band of Metallic Nanotubes

We present a resonant Raman study of the tangential G-band in metallic SWNTs. By measuring the Raman spectra for isolated SWNTs, we show that the two different lineshapes observed for semiconducting and metallic SWNTs in bundles also occur for isolated SWNTs. A lineshape analysis of the tangential G-band feature for metallic SWNT bundles is presented, showing that only two components are present, the higher frequency component having a Lorentzian lineshape, and the lower one having a Breit–Wigner–Fano (BWF) line-shape. Through comparisons of the Raman tangential G-band spectra from three different diameter distributions of carbon nanotubes, we find that both the frequency and linewidth of the BWF component are diameter dependent.

Nuclear Magnetic Resonance Studies of Deuterium in Silicon

ABSTRACTWe report nuclear magnetic resonance measurements of deuterone diffused into silicon powders. Deuterium spectra show a two-component lineshape corresponding to two distinct hydrogen sites. The component with a narrow Lorentzian lineshape is assigned to D2 molecules. The second component is a quadrupolar doublet powder pattern, and its characteristic splitting provides a value of the electric field gradient at the site of the deuterium atom of 1.45×105 dyn/cm.

Pinning of Misfit Dislocations in film Growth Studied by Grazing Incidence X-ray Scattering

ABSTRACTUsing grazing incidence x-ray scattering, we have studied incommensurate structures of Pb adlayers on Cu(110) surface and epitaxial Al films grown on Si(111) surface. Similar diffuse scattering profiles were found in both cases, which can be fitted with a Gaussian-plus-Lorentzian lineshape. The results are attributed to a overlayer structure with pinned misfit dislocations at the interface.