TY - JOUR A1 - Schulz, Christian A1 - Lieutenant, Klaus A1 - Xiao, Jie A1 - Hofmann, Tommy A1 - Wong, Deniz A1 - Habicht, Klaus T1 - Characterization of the soft X-ray spectrometer PEAXIS at BESSY II JF - Journal of synchrotron radiation N2 - The performance of the recently commissioned spectrometer PEAXIS for resonant inelastic soft X-ray scattering (RIXS) and X-ray photoelectron spectroscopy and its hosting beamline U41-PEAXIS at the BESSY II synchrotron are characterized. The beamline provides linearly polarized light from 180 eV to 1600 eV allowing for RIXS measurements in the range 200-1200 eV. The monochromator optics can be operated in different configurations to provide either high flux with up to 10(12) photons s(-1) within the focal spot at the sample or high energy resolution with a full width at half maximum of <40 meV at an incident photon energy of similar to 400 eV. The measured total energy resolution of the RIXS spectrometer is in very good agreement with theoretically predicted values obtained by ray-tracing simulations. PEAXIS features a 5 m-long RIXS spectrometer arm that can be continuously rotated about the sample position by 106 degrees within the horizontal photon scattering plane, thus enabling the study of momentum-transfer-dependent excitations. Selected scientific examples are presented to demonstrate the instrument capabilities, including measurements of excitations in single-crystalline NiO and in liquid acetone employing a fluid cell sample manipulator. Planned upgrades of the beamline and the RIXS spectrometer to further increase the energy resolution to similar to 100 meV at 1000 eV incident photon energy are discussed. KW - resonant inelastic X-ray scattering KW - X-ray photoelectron spectroscopy KW - soft X-ray spectroscopy KW - soft X-ray beamline KW - X-ray emission KW - X-ray KW - absorption KW - BESSY II Y1 - 2020 U6 - https://doi.org/10.1107/S1600577519014887 SN - 1600-5775 VL - 27 SP - 238 EP - 249 PB - International Union of Crystallography CY - Chester ER - TY - GEN A1 - Lever, Fabiano A1 - Mayer, Dennis A1 - Metje, Jan A1 - Alisauskas, Skirmantas A1 - Calegari, Francesca A1 - Düsterer, Stefan A1 - Feifel, Raimund A1 - Niebuhr, Mario A1 - Manschwetus, Bastian A1 - Kuhlmann, Marion A1 - Mazza, Tommaso A1 - Robinson, Matthew Scott A1 - Squibb, Richard J. A1 - Trabattoni, Andrea A1 - Wallner, Måns A1 - Wolf, Thomas J. A. A1 - Gühr, Markus T1 - Core-level spectroscopy of 2-thiouracil at the sulfur L1 and L2,3 edges utilizing a SASE free-electron-laser T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1180 KW - X-ray KW - photoelectron KW - sulfur KW - thiouracil KW - nucleobases KW - Coster–Kronig KW - Auger–Meitner KW - NEXAFS KW - FLASH Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-524091 SN - 1866-8372 IS - 21 ER - TY - JOUR A1 - Lever, Fabiano A1 - Mayer, Dennis A1 - Metje, Jan A1 - Alisauskas, Skirmantas A1 - Calegari, Francesca A1 - Düsterer, Stefan A1 - Feifel, Raimund A1 - Niebuhr, Mario A1 - Manschwetus, Bastian A1 - Kuhlmann, Marion A1 - Mazza, Tommaso A1 - Robinson, Matthew Scott A1 - Squibb, Richard J. A1 - Trabattoni, Andrea A1 - Wallner, Måns A1 - Wolf, Thomas J. A. A1 - Gühr, Markus T1 - Core-level spectroscopy of 2-thiouracil at the sulfur L1 and L2,3 edges utilizing a SASE free-electron-laser JF - Molecules N2 - In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy. KW - X-ray KW - photoelectron KW - sulfur KW - thiouracil KW - nucleobases KW - Coster–Kronig KW - Auger–Meitner KW - NEXAFS KW - FLASH Y1 - 2021 SN - 1420-3049 VL - 26 IS - 21 PB - MDPI CY - Basel ER - TY - JOUR A1 - Oster, Simon A1 - Fritsch, Tobias A1 - Ulbricht, Alexander A1 - Mohr, Gunther A1 - Bruno, Giovanni A1 - Maierhofer, Christiane A1 - Altenburg, Simon T1 - On the registration of thermographic in situ monitoring data and computed tomography reference data in the scope of defect prediction in laser powder bed fusion JF - Metals : open access journal N2 - The detection of internal irregularities is crucial for quality assessment in metal-based additive manufacturing (AM) technologies such as laser powder bed fusion (L-PBF). The utilization of in-process thermography as an in situ monitoring tool in combination with post-process X-ray micro computed tomography (XCT) as a reference technique has shown great potential for this aim. Due to the small irregularity dimensions, a precise registration of the datasets is necessary as a requirement for correlation. In this study, the registration of thermography and XCT reference datasets of a cylindric specimen containing keyhole pores is carried out for the development of a porosity prediction model. The considered datasets show variations in shape, data type and dimensionality, especially due to shrinkage and material elevation effects present in the manufactured part. Since the resulting deformations are challenging for registration, a novel preprocessing methodology is introduced that involves an adaptive volume adjustment algorithm which is based on the porosity distribution in the specimen. Thus, the implementation of a simple three-dimensional image-to-image registration is enabled. The results demonstrate the influence of the part deformation on the resulting porosity location and the importance of registration in terms of irregularity prediction. KW - selective laser melting (SLM) KW - laser powder bed fusion (L-PBF) KW - additive KW - manufacturing (AM) KW - process monitoring KW - infrared thermography KW - X-ray KW - micro computed tomography (XCT) KW - defect detection KW - image registration Y1 - 2022 U6 - https://doi.org/10.3390/met12060947 SN - 2075-4701 VL - 12 IS - 6 PB - MDPI CY - Basel ER - TY - THES A1 - Xü, Chenggang T1 - Preparation and characterization of vapour deposited films based on substituted 2,5-diphenyl-1,3,4-oxadiazole derivatives N2 - Diese Arbeit befasst sich mit dem Einfluss der molekularen Struktur von 2,5-Diphenyl-1,3,4-Oxadiazol-Derivaten auf die Präparierung dünner Schichten mittels Vakuumdeposition. Dünne Schichten von diesen Substanzen wurden auf Si/SiO2 aufgedampft und ihre Struktur systematisch mittels XSR, AFM und IR untersucht. Das Ergebnis zeigt, dass die Schichtstrukturen offenbar von Substratetemperatur (Ts) abhängig sind. Im untersuchten Ts-Bereich bilden etherverbrückte Oxadiazole immer geordnete Schichten und die Schichtperiodicität hängt linear von der Längen der aliphatischen Ketten, während sich bei den amidverbrückten Oxadiazolen nur bei hohen Ts geordnete Schichten bilden können. Diese Unterschiede sind auf die intermolekularen Wasserstoffbrücken zurückzuführen. Der Tilt-Winkel der Moleküle ist durch die Wechselwirkung zwischen dem aromatischen Teil bestimmt. Die Wechselwirkungen zwischen den Kopfgruppen können durch Tempern abgeschwächt werden und führen zur Strukturumwandlung von Schichten, die auf etherverbrückten Oxadiazolen basieren. Alle Schichten von etherverbrückten Oxadiazolen haben Doppelschicht-Struktur, aber amidverbrückte Oxadiazole bilden nur Doppelschicht-Strukturen, wenn die Moleküle eine Kopfgruppe besitzen. N2 - The correlations between the chemical structures of the 2,5-diphenyl-1,3,4-oxadiazole compounds and their corresponding vapour deposited film structures on Si/SiO2 were systematically investigated with AFM, XSR and IR for the first time. The result shows that the film structure depends strongly on the substrate temperature (Ts). For the compounds with ether bridge group, the film periodicity depends linearly on the length of the aliphatic chain. The films based on those oxadiazols have ordered structure in the investigated substrate temperature region, while die amide bridged compounds form ordered film only at high Ts due to the formation of intermolecular H-bond. The tilt angle of most molecules is determined by the pi-pi complexes between the molecules. The intermolecular interaction between head groups leads to the structural transformation during the thermal treatment after deposition. All the ether bridged oxadiazoles form films with bilayer structure, while amide bridged oxadiazole form film bilayer structure only when the molecule has a head group. KW - 1 KW - 3 KW - 4-oxadiazol KW - Vapour Deposition KW - Dünnschichten KW - AFM KW - X-ray KW - Infrarot Spektroskopie KW - intermolekülare Wechselwirkung KW - Hochvakuum KW - 1 KW - 3 KW - 4-oxadiazole KW - vapour deposition KW - Thin film KW - AFM KW - X-ray KW - Infrared spectroscopy KW - intermolecular interaction KW - high vacuum Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-0001358 ER -