TY - JOUR A1 - Belsey, N. A. A1 - Cant, D. J. H. A1 - Minelli, C. A1 - Araujo, J. R. A1 - Bock, B. A1 - Brüner, P. A1 - Castner, D. G. A1 - Ceccone, G. A1 - Counsell, J. D. P. A1 - Dietrich, Paul M. A1 - Engelhardt, M. H. A1 - Fearn, S. A1 - Galhardo, C. E. A1 - Kalbe, H. A1 - Kim, J. W. A1 - Lartundo-Rojas, L. A1 - Luftman, H. S. A1 - Nunney, T. S. A1 - Pseiner, J. A1 - Smith, E. F. A1 - Spampinato, V. A1 - Sturm, J. M. A1 - Thomas, A. G. A1 - Treacy, J. P. W. A1 - Veith, L. A1 - Wagstaffe, M. A1 - Wang, H. A1 - Wang, M. A1 - Wang, Y.-C. A1 - Werner, W. A1 - Yang, L. A1 - Shard, A. G. T1 - Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS N2 - We report the results of a Versailles Project on Advanced Materials and Standards (VAMAS) interlaboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage, or sample preparation resulted in a variability in thickness of 53%. The calculation method chosen by XPS participants contributed a variability of 67%. However, variability of 12% was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors since this contributed a variability of 33%. The results from the LEIS participants were more consistent, with variability of less than 10% in thickness, and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films, and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results. KW - VAMAS KW - Interlaboratory Study KW - Nanoparticle coating KW - XPS KW - LEIS KW - shell thicknss and chemistry PY - 2016 UR - http://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b06713 DO - https://doi.org/10.1021/acs.jpcc.6b06713 IS - 120 SP - 24070 EP - 24079 PB - ACS Publications AN - OPUS4-38428 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Sanayei, Mohammad Hassan A1 - Farhat, A. A1 - Luu, L.-H. A1 - Werner, L. A1 - Rettinger, C. A1 - Philippe, P. A1 - Cuellar, Pablo T1 - Micromechanical framework for a 3d solid cohesion model - implementation, validation and perspectives N2 - This article presents a solid cohesion model for the simulation of bonded granular assemblies in the frame of 3D discrete element approaches (DEM). A simple viscoplastic cohesion model for 2D geometries is extended to 3D conditions, while its yield criterion is generalized as a hyper-surface in the space of bond solicitations to include torsional moments. The model is then calibrated using experimental results of uniaxial traction at both the microscopic and macroscopic scales with an artificial granular cohesive soil. The paper finally presents some simulated results on the macromechanical sample traction application and briefly discusses the model's current limitations and promising prospects for subsequent works. T2 - VII International Conference on Particle-Based Methods PARTICLES 2021 CY - Hamburg, Germany DA - 04.10.2021 KW - Granular Cohesive Materials KW - DEM KW - Micromechanical Tensile Failure KW - Macromechanical Sample Strength PY - 2021 SP - 1 EP - 10 AN - OPUS4-53716 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoang, D. L. A1 - Dittmar, A. A1 - Radnik, J. A1 - Witke, Klaus A1 - Brzezinka, Klaus-Werner T1 - Redox behaviour of La-Cr compounds formed in CrOX/La2O3 mixed oxides and CrOX/La2O3/ZrO2 catalysts N2 - The redox behaviour of chromium oxide in CrOx/La2O3, CrOx/La2O3/ZrO2 and CrOx/ZrO2 mixed oxide systems has been investigated by temperature-programmed reduction (TPR), photoelectron spectroscopy (XPS) and Raman spectroscopy (RS). The formation of La-Cr compounds such as La2CrO6, LaCrO4 was shown to occur by calcination of CrOx/La2O3 and CrOx/La2O3/ZrO2 at 600 °C. With a Cr content of ca. 4 wt.%, it was revealed that, having been reduced to Cr3+-containing compounds, La2CrO6 and/or LaCrO4 in both systems may be restored by reoxidation at 600 °C. In the case of CrOx/La2O3/ZrO2 catalysts, it is suggested that these compounds were real surface species anchored as an overlayer on zirconia. Such a structure may stabilise, on the one hand, the tetragonal modification of zirconia and, on the other hand, highly dispersed state of Cr species in calcined as well as in reduced catalysts. KW - Chromia containing catalysts KW - Redox reversibility KW - La-Cr compounds KW - Temperature-programmed reduction KW - XPS KW - Raman spectroscopy PY - 2003 DO - https://doi.org/10.1016/S0926-860X(02)00375-7 SN - 0926-860X SN - 1873-3875 VL - 239 IS - 1-2 SP - 95 EP - 110 PB - Elsevier CY - Amsterdam AN - OPUS4-2260 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Brzezinka, Klaus-Werner A1 - Trunschke, A. A1 - Hoang, D. L. A1 - Radnik, J. A1 - Brückner, A. A1 - Lieske, H. T1 - Transition metal oxide/carbon composite catalysts for n-alkane aromatization: Structure and catalytic properties N2 - Nanocrystalline particles of high temperature pretreated titania, zirconia or hafnium oxide, embedded in a carbon matrix, have been found to catalyze the aromatization of n-octane into ethylbenzene (EB) and o-xylene (OX) with high selectivity. The carbon matrix itself is catalytically not active, but seems to co-operate with the transition metal oxides in such a way that the various metal oxide/carbon composite materials exhibit equal selectivity patterns. In detail, the carbon component stabilizes a high dispersion of the oxides during the high temperature pretreatment procedure. This thermal treatment results in a destruction of surface acidity of the oxides, which would otherwise be responsible for undesirable consecutive and parallel reactions. Moreover, the carbon component is involved in the deep dehydrogenation of alkanes to multiple unsaturated alkenes. This is explained by the ability of surface carbon atoms to interact with hydrogen. The bulk and surface structure of the catalysts have been characterized by XRD, specific surface area measurements, XPS, UPS, Raman spectroscopy, in situ ESR and DRIFT spectroscopy. KW - Aromatization KW - Dehydrocyclization KW - n-Octane KW - Monofunctional catalysts KW - Zirconia KW - Titania KW - Oxide/carbon composites PY - 2001 DO - https://doi.org/10.1016/S0926-860X(00)00736-5 SN - 0926-860X SN - 1873-3875 VL - 208 IS - 1-2 SP - 381 EP - 392 PB - Elsevier CY - Amsterdam AN - OPUS4-1083 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Österle, Werner A1 - Rooch, Heidemarie A1 - Pyzalla, A. A1 - Wang, L. T1 - Investigation of white etching layers on rails by optical microscopy, electron microscopy, X-ray and synchrotron X-ray diffraction N2 - Patches of white etching layers on rail surfaces were investigated using sophisticated techniques like cross-sectional transmission electron microscopy (XTEM) and synchroton X-ray diffraction. Optical microscopy failed to resolve the microstructure, but in the TEM submicron grains with high dislocation densities and occasional twins, which are characteristic features of high carbon martensite, were observed. The martensitic structure was confirmed by evaluation of synchroton X-ray diffraction line profiles. The latter technique also allowed to determine dislocation densities of the order of 1012 cm-2 and residual compressive stresses of about 200 MPa. KW - Cross-sectional transmission electron microscopy KW - White etching layers KW - X-ray diffraction PY - 2001 DO - https://doi.org/10.1016/S0921-5093(00)01842-6 SN - 0921-5093 SN - 1873-4936 VL - 303 SP - 150 EP - 157 PB - Elsevier CY - Amsterdam AN - OPUS4-2370 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoang, D. L. A1 - Dittmar, A. A1 - Schneider, M. A1 - Trunschke, A. A1 - Lieske, H. A1 - Brzezinka, Klaus-Werner A1 - Witke, Klaus T1 - Evidence of lanthanum-chromium mixed oxides formed in CrOx/La2O3 model catalysts N2 - CrOx/La2O3 mixed oxides, prepared by impregnating La2O3 with appropriate aqueous solutions of (NH4)2CrO4 and calcining at 600 °C for 4 h, have been investigated by means of XRD, TPR, XPS, DRIFTS, and Raman spectroscopy (RS). The formation of the compounds La2CrO6, La(OH)CrO4 and LaCrO4 under these conditions was evidenced. Strong peaks at 864, 884, 913, and 921 cm-1, as well as weak peaks at 136, 180, 354, 370, and 388 cm-1 in the RS spectrum of CrOx/La2O3 have been assigned to La2CrO6. KW - Lanthanum-chromium mixed oxides KW - La2CrO6 KW - LaCrO4 KW - TPR KW - XPS KW - XRD KW - DRIFTS KW - Raman spectroscopy PY - 2003 DO - https://doi.org/10.1016/S0040-6031(02)00491-4 SN - 0040-6031 SN - 1872-762X VL - 400 SP - 153 EP - 163 PB - Elsevier CY - Amsterdam AN - OPUS4-2397 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ressel, P. A1 - Hao, P.H. A1 - Park, M.H. A1 - Yang, Z. C. A1 - Wang, L.C. A1 - Österle, Werner A1 - Kurpas, P. A1 - Richter, E. A1 - Kuphal, E. A1 - Hartnagel, H.L. T1 - Pd/Sb(Zn) and Pd/Ge(Zn) Ohmic Contacts on p-Type Indium Gallium Arsenide: The Employment of the Solid Phase Regrowth Principle to Achieve Optimum Electrical and Metallurgical Properties N2 - The development of two metallizations based on the solid-phase regrowth principle is presented, namely Pd/Sb(Zn) and Pd/Ge(Zn) on moderately doped In0.53Ga0.47As (p=4×1018 cm-3). Contact resistivities of 2–3×10-7 and 6–7×10-7 ?cm2, respectively, have been achieved, where both systems exhibit an effective contact reaction depth of zero and a Zn diffusion depth below 50 nm. Exhibiting resistivities equivalent to the lowest values of Au-based systems in this doping range, especially Pd/Sb(Zn) contacts are superior to them concerning metallurgical stability and contact penetration. Both metallizations have been successfully applied for contacting the base layer of InP/In0.53Ga0.47As heterojunction bipolar transistors. KW - Ohmic contacts KW - Indium gallium arsenide KW - InP/InGaAs heterojunction bipolar transistor KW - Solid-phase regrowth KW - Pd/Ge contacts KW - Pd/Sb contacts KW - Backside secondary ion mass spectrometry (SIMS) PY - 2000 DO - https://doi.org/10.1007/s11664-000-0189-y SN - 0361-5235 SN - 1543-186X VL - 29 IS - 7 SP - 964 EP - 972 PB - TMS CY - Warrendale, Pa. AN - OPUS4-7642 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Emmerling, Franziska A1 - Bricks, J. L. A1 - Resch-Genger, Ute A1 - Kraus, Werner A1 - Schulz, Burkhard A1 - Li, Yanqin A1 - Reck, Günter T1 - Influence of the donor substituent and acceptor alkylation on the structure-analytical properties of mono- and bifunctional biphenyl-type fluorescent reporters N2 - A systematic structural investigation of R-phenyl-substituted 2,2':6',2"-terpyridines, a family of mono- and bifunctional charge transfer (CT)-operated fluorescent reporters for protons and metal ions, is presented. These molecules are equipped with non-binding and analyte coordinating donor substituents R (R = CF3, H, OMe, OH, DMA, A15C5 equaling monoaza-15-crown-5) of various donor strength and display CT-controlled spectroscopic properties and communication of analyte–receptor interactions. The crystal structures of the neutral fluorescent probes are compared to the structures of their terpyridine-alkylated or -protonated counterparts that represent model systems for acceptor protonation or cation coordination. The aim is here a better understanding of the complexation-induced structural and spectroscopic changes and the identification of common packing motifs of bpb-R thereby taking into account the importance of terpyridine building blocks for the construction of supramolecular systems and coordination arrays revealing π–π interactions. KW - Biphenyl KW - Terpyridine KW - Crystal structure KW - Fluorescent probe KW - Charge transfer KW - Bifunctional PY - 2008 DO - https://doi.org/10.1016/j.molstruc.2007.03.025 SN - 0022-2860 SN - 1872-8014 SN - 0377-046X VL - 874 IS - 1-3 SP - 14 EP - 27 PB - Elsevier CY - Amsterdam AN - OPUS4-17087 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Werner, L. A1 - Tetz, M. A1 - Feldmann, Ines A1 - Bücker, Michael T1 - Evaluating and defining the sharpness of intraocular lenses: Microedge structure of commercially available square-edged hydrophilic intraocular lenses KW - ESEM KW - Intraocularlinse KW - IOL PY - 2009 DO - https://doi.org/10.1016/j.jcrs.2008.11.042 SN - 0886-3350 VL - 35 IS - 3 SP - 556 EP - 566 PB - Elsevier CY - New York, NY, USA AN - OPUS4-19228 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lempke, L. A1 - Fischer, Tobias A1 - Bell, Jérémy A1 - Kraus, Werner A1 - Rurack, Knut A1 - Krause, N. T1 - Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes N2 - A novel synthetic strategy toward highly fluorinated BODIPY dyes with exceptional photostabilities relying on sustainable gold catalysis has been developed. A key to the tailored pyrrole precursors is the gold catalysis performed in ionic liquids as the reaction medium, allowing a facile recycling of the catalysts. The dyes prepared are well-matching with the spectral windows of popular rhodamine dyes and possess high brightness while showing a distinctly higher photostability than the rhodamines especially in aprotic solvents. KW - Gold-Katalyse KW - BODIPY-Farbstoffe KW - Photostabilität KW - Fluor-Substitution KW - Fluoreszenz PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-344692 DO - https://doi.org/10.1039/c4ob02671c SN - 1477-0520 SN - 1477-0539 VL - 13 IS - 12 SP - 3787 EP - 3791 PB - RSC CY - Cambridge AN - OPUS4-34469 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -