TY - CONF A1 - Unger, Wolfgang A1 - Ehlert, Christopher A1 - Donskyi, Ievgen A1 - Girard-Lauriault, P.-L. A1 - Lippitz, Andreas A1 - Illgen, Rene A1 - Haag, R. A1 - Adeli, M. T1 - Chemical modification of graphene and carbon nano tubes as viewed by xps and nexafs spectroscopies with dft spectra simulation N2 - Graphene is a two-dimensional carbon network with unique properties. However, its low solubility, poor reactivity and the limited accessibility of a well-defined basal plane are major challenges for applications. An ideal method to overcome these problems is the covalent attachment of functional molecules to its surface which enable further reactive modifications for specific applications. There are several technologies for surface functionalization of graphene and related CNT materials. To get control on the functionalization process and to optimize the performance of the modified surfaces analytical tools for surface chemical characterization are required. X-ray absorption (NEXAFS) and photoelectron spectroscopy (XPS) have been identified to be rather powerful here [1-3]. Specifically, NEXAFS spectroscopy underpinned by quantum chemical spectrum simulations [4] is unique in a way to address changes of aromaticity and defect formation at the graphene surface during functionalization. For relevant surface modification technologies, we present examples on how NEXAFS and XPS can do a good job. All presented modifications aim on the production of platforms for defined functional 2D nanomaterials, as for example multifunctional hybrid architectures. In detail, we investigated: • A wet chemical method for covalent functionalization of graphene sheets by a one-pot nitrene [2+1] cycloaddition reaction under mild conditions. Here a reaction between 2,4,6-trichloro-1,3,5-triazine and sodium azide with thermally reduced graphene oxide (TRGO) results in defined dichlorotriazine-functionalized graphene sheets. • Graphene and carbon nanotube functionalized by Vacuum-Ultraviolet (VUV) induced photochemical or r.f. cw low pressure plasma processes to introduce amino, hydroxy or brominated functionalities. To underpin finger-print information delivered by C K-edge NEXAFS we studied the effects of selected point and line defects as well as chemical modifications for a single graphene layer model by density functional theory based spectrum simulations. References [1] P.-L. Girard-Lauriault et al., Appl. Surf. Sci., 258 2012 8448-8454, DOI: 10.1016/j.apsusc.2012.03.012 [2] A. Lippitz et al., Surf. Sci., 611 2013 L1-L7, DOI: 10.1016/j.susc.2013.01.020 [3] A. Faghani et al., Angew. Chemie (International ed.), 56 2017 2675-2679, DOI:10.1002/anie.201612422 [4] C. Ehlert, et al., Phys.Chem.Chem.Phys., 16 2014 14083-14095, DOI: 10.1039/c4cp01106f T2 - AVS 65th INTERNATIONAL SYMPOSIUM CY - Long Beach, CA, USA DA - 21.10.2018 KW - Graphene KW - Plasma KW - Nitrene [2+1] cycloaddition KW - XPS KW - NEXAFS PY - 2018 AN - OPUS4-46468 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -