Conference Dates

August 20-25, 2017


In our poster we will present the deconvolution of Raman, X-ray Photoelectron, and Nuclear Magnetic Resonance spectra of bio-chars. To support this work, spectra calculated for a wide variety of polyaromatic structures have been examined using density functional theory. Based on the modeling results a new fitting and interpretation procedure for Raman spectra of chars has been proposed. This method identifies out of plane deformation, 5 membered ring systems, 7 + membered ring systems and heteroatom inclusions, in addition to monitoring the cluster size of aromatic domains.

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