@article{40984, abstract = {{A two-step seeded-growth method was refined to synthesize Au@Pd core@shell nanoparticles with thin Pd shells, which were then deposited onto alumina to obtain a supported Au@Pd/Al2O3 catalyst active for prototypical CO oxidation. By the strict control of temperature and Pd/Au molar ratio and the use of l-ascorbic acid for making both Au cores and Pd shells, a 1.5 nm Pd layer is formed around the Au core, as evidenced by transmission electron microscopy and energy-dispersive spectroscopy. The core@shell structure and the Pd shell remain intact upon deposition onto alumina and after being used for CO oxidation, as revealed by additional X-ray diffraction and X-ray photoemission spectroscopy before and after the reaction. The Pd shell surface was characterized with in situ infrared (IR) spectroscopy using CO as a chemical probe during CO adsorption–desorption. The IR bands for CO ad-species on the Pd shell suggest that the shell exposes mostly low-index surfaces, likely Pd(111) as the majority facet. Generally, the IR bands are blue-shifted as compared to conventional Pd/alumina catalysts, which may be due to the different support materials for Pd, Au versus Al2O3, and/or less strain of the Pd shell. Frequencies obtained from density functional calculations suggest the latter to be significant. Further, the catalytic CO oxidation ignition-extinction processes were followed by in situ IR, which shows the common CO poisoning and kinetic behavior associated with competitive adsorption of CO and O2 that is typically observed for noble metal catalysts.}}, author = {{Feng, Yanyue and Schaefer, Andreas and Hellman, Anders and Di, Mengqiao and Härelind, Hanna and Bauer, Matthias and Carlsson, Per-Anders}}, issn = {{0743-7463}}, journal = {{Langmuir}}, keywords = {{Electrochemistry, Spectroscopy, Surfaces and Interfaces, Condensed Matter Physics, General Materials Science}}, number = {{42}}, pages = {{12859--12870}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina}}}, doi = {{10.1021/acs.langmuir.2c01834}}, volume = {{38}}, year = {{2022}}, } @article{36425, author = {{Dogan, Deniz and Ruthmann, Simon and Seewald, Oliver and Bremser, Wolfgang}}, issn = {{0300-9440}}, journal = {{Progress in Organic Coatings}}, keywords = {{Materials Chemistry, Organic Chemistry, Surfaces, Coatings and Films, General Chemical Engineering}}, publisher = {{Elsevier BV}}, title = {{{Tuning of antifouling active PDMS domains tethered to epoxy/amine surface}}}, doi = {{10.1016/j.porgcoat.2022.106977}}, volume = {{170}}, year = {{2022}}, } @article{33691, abstract = {{Near ambient pressure XPS in nitrogen atmosphere was utilized to investigate gas-solid interactions within porous SiO2 films ranging from 30 to 75 nm thickness. The films were differentiated in terms of porosity and roughness. The XPS N1s core levels of the N2 gas in presence of the SiO2 samples showed variations in width, binding energy and line shape. The width correlated with the surface charge induced in the dielectric films upon X-ray irradiation. The observed different binding energies observed for the N1s peak can only partly be associated with intrinsic work function differences between the samples, opening the possibility that the effect of physisorption at room temperature could be detected by a shift in the measured binding energy. However, the signals also show an increasing asymmetry with rising surface charge. This might be associated with the formation of vertical electrical gradients within the dielectric porous thin films, which complicates the assignment of binding energy positions to specific surface-related effects. With the support of Monte Carlo and first principles density functional theory calculations, the observed shifts were discussed in terms of the possible formation of transitory dipoles upon N2 physisorption within the porous SiO2 films.}}, author = {{de los Arcos, Teresa and Weinberger, Christian and Zysk, Frederik and Raj Damerla, Varun and Kollmann, Sabrina and Vieth, Pascal and Tiemann, Michael and Kühne, Thomas and Grundmeier, Guido}}, issn = {{0169-4332}}, journal = {{Applied Surface Science}}, keywords = {{Surfaces, Coatings and Films, Condensed Matter Physics, Surfaces and Interfaces, General Physics and Astronomy, General Chemistry}}, publisher = {{Elsevier BV}}, title = {{{Challenges in the interpretation of gas core levels for the determination of gas-solid interactions within dielectric porous films by ambient pressure XPS}}}, doi = {{10.1016/j.apsusc.2022.154525}}, volume = {{604}}, year = {{2022}}, } @article{34652, author = {{Vieth, P. and Garthe, M.-A. and Voswinkel, Dietrich and Schaper, Mirko and Grundmeier, Guido}}, issn = {{0257-8972}}, journal = {{Surface and Coatings Technology}}, keywords = {{Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Condensed Matter Physics, General Chemistry}}, publisher = {{Elsevier BV}}, title = {{{Enhancement of the delamination resistance of adhesive film coated surface laser melted aluminum 7075-T6 alloy by aminophosphonic acid adsorption}}}, doi = {{10.1016/j.surfcoat.2022.128835}}, volume = {{447}}, year = {{2022}}, } @article{32332, author = {{Krüger, Jan Tobias and Hoyer, Kay-Peter and Hengsbach, Florian and Schaper, Mirko}}, issn = {{2238-7854}}, journal = {{Journal of Materials Research and Technology}}, keywords = {{Metals and Alloys, Surfaces, Coatings and Films, Biomaterials, Ceramics and Composites}}, pages = {{2369--2387}}, publisher = {{Elsevier BV}}, title = {{{Formation of insoluble silver-phases in an iron-manganese matrix for bioresorbable implants using varying laser beam melting strategies}}}, doi = {{10.1016/j.jmrt.2022.06.006}}, volume = {{19}}, year = {{2022}}, } @article{41498, author = {{Krüger, Jan Tobias and Hoyer, Kay-Peter and Hengsbach, Florian and Schaper, Mirko}}, issn = {{2238-7854}}, journal = {{Journal of Materials Research and Technology}}, keywords = {{Metals and Alloys, Surfaces, Coatings and Films, Biomaterials, Ceramics and Composites}}, pages = {{2369--2387}}, publisher = {{Elsevier BV}}, title = {{{Formation of insoluble silver-phases in an iron-manganese matrix for bioresorbable implants using varying laser beam melting strategies}}}, doi = {{10.1016/j.jmrt.2022.06.006}}, volume = {{19}}, year = {{2022}}, } @article{46479, author = {{Bobzin, K. and Kalscheuer, C. and Grundmeier, Guido and Kollmann, S. and Carlet, M. and de los Arcos de Pedro, Maria Teresa}}, issn = {{0257-8972}}, journal = {{Surface and Coatings Technology}}, keywords = {{Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Condensed Matter Physics, General Chemistry}}, publisher = {{Elsevier BV}}, title = {{{Oxidation stability of chromium aluminum oxynitride hard coatings}}}, doi = {{10.1016/j.surfcoat.2022.128927}}, volume = {{449}}, year = {{2022}}, } @inproceedings{22481, abstract = {{During the industrial processing of materials for the manufacture of new products, surface defects can quickly occur. In order to achieve high quality without a long time delay, it makes sense to inspect the work pieces so that defective work pieces can be sorted out right at the beginning of the process. At the same time, the evaluation unit should come close the perception of the human eye regarding detection of defects in surfaces. Such defects often manifest themselves by a deviation of the existing structure. The only restriction should be that only matt surfaces should be considered here. Therefore in this work, different classification and image processing algorithms are applied to surface data to identify possible surface damages. For this purpose, the Gabor filter and the FST (Fused Structure and Texture) features generated with it, as well as the salience metric are used on the image processing side. On the classification side, however, deep neural networks, Convolutional Neural Networks (CNN), and autoencoders are used to make a decision. A distinction is also made between training using class labels and without. It turns out later that the salience metric are best performed by CNN. On the other hand, if there is no labeled training data available, a novelty classification can easily be achieved by using autoencoders as well as the salience metric and some filters.}}, author = {{Sander, Tom and Lange, Sven and Hilleringmann, Ulrich and Geneis, Volker and Hedayat, Christian and Kuhn, Harald and Gockel, Franz-Barthold}}, booktitle = {{22nd IEEE International Conference on Industrial Technology (ICIT)}}, isbn = {{9781728157306}}, keywords = {{Image Processing, Defect Detection, wooden surfaces, Machine Learning, Neural Networks}}, location = {{Valencia, Spain }}, publisher = {{IEEE}}, title = {{{Detection of Defects on Irregular Structured Surfaces by Image Processing Methods for Feature Extraction}}}, doi = {{10.1109/icit46573.2021.9453646}}, year = {{2021}}, } @article{34647, author = {{Brögelmann, T and Bobzin, K and Grundmeier, Guido and de los Arcos, T and Kruppe, N C and Schwiderek, S and Carlet, M}}, issn = {{0022-3727}}, journal = {{Journal of Physics D: Applied Physics}}, keywords = {{Surfaces, Coatings and Films, Acoustics and Ultrasonics, Condensed Matter Physics, Electronic, Optical and Magnetic Materials}}, number = {{3}}, publisher = {{IOP Publishing}}, title = {{{Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions}}}, doi = {{10.1088/1361-6463/ac2e31}}, volume = {{55}}, year = {{2021}}, } @article{33655, abstract = {{Abstract Dual-ion batteries are considered to be an emerging viable energy storage technology owing to their safety, high power capability, low cost, and scalability. Intercalation of anions into a graphite positive electrode provides high operating voltage and improved energy density to such dual-ion batteries. In this work, we have performed a combinatorial study of graphite intercalation compounds considering four anions, namely hexafluorophosphate (PF 6 − ), perchlorate (ClO 4 − ), bis(fluorosulfonyl)imide (FSI−), and bis(trifluoromethanesulfonyl)imide (TFSI−), via first-principles calculations. The structural properties and energetics of the intercalation compounds are compared based on different sizes, geometries, and the physical and chemical properties of the intercalated anions. The staging mechanism of anion intercalation into graphite and the specific capacities, and voltage profiles of the intercalated compounds are investigated. A comparison regarding battery electrochemistry is also done with available experimental observations. Our calculated intercalation energies and voltage profiles show that the initial anion intercalation into graphite is less favorable than subsequent ones for all the anions considered in this study. Although the effect of the size of anions in a graphite cathode on various properties of the intercalated compounds is not as significant as the size of cations in a graphite anode, some distinction between the studied anions can still be made. Among the studied anions, the intercalation compounds based on PF 6 − are the most stable ones. These PF 6 − anions cause relatively small structural deformations of the graphite and have the highest oxidative ability, highest onset voltage, and highest diffusion barrier along the graphene sheets. The overall small diffusion barriers of the anions within graphite explain the high rate capability of dual-ion batteries.}}, author = {{Chugh, Manjusha and Jain, Mitisha and Wang, Gang and Nia, Ali Shaygan and Mirhosseini, Hossein and Kühne, Thomas}}, issn = {{2053-1591}}, journal = {{Materials Research Express}}, keywords = {{Metals and Alloys, Polymers and Plastics, Surfaces, Coatings and Films, Biomaterials, Electronic, Optical and Magnetic Materials}}, number = {{8}}, publisher = {{IOP Publishing}}, title = {{{A combinatorial study of electrochemical anion intercalation into graphite}}}, doi = {{10.1088/2053-1591/ac1965}}, volume = {{8}}, year = {{2021}}, } @article{33651, author = {{Sahoo, Sudhir K. and Teixeira, Ivo F. and Naik, Aakash and Heske, Julian Joachim and Cruz, Daniel and Antonietti, Markus and Savateev, Aleksandr and Kühne, Thomas}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}}, number = {{25}}, pages = {{13749--13758}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials}}}, doi = {{10.1021/acs.jpcc.1c03947}}, volume = {{125}}, year = {{2021}}, } @article{40569, author = {{Kossmann, Janina and Rothe, Regina and Heil, Tobias and Antonietti, Markus and Lopez Salas, Nieves}}, issn = {{0021-9797}}, journal = {{Journal of Colloid and Interface Science}}, keywords = {{Colloid and Surface Chemistry, Surfaces, Coatings and Films, Biomaterials, Electronic, Optical and Magnetic Materials}}, pages = {{880--888}}, publisher = {{Elsevier BV}}, title = {{{Ultrahigh water sorption on highly nitrogen doped carbonaceous materials derived from uric acid}}}, doi = {{10.1016/j.jcis.2021.06.012}}, volume = {{602}}, year = {{2021}}, } @article{41002, abstract = {{Homogeneous catalysts immobilized on metal oxides often have different catalytic properties than in homogeneous solution. This can be either activating or deactivating and is often attributed to interactions of catalyst species with the metal oxide surface. However, few studies have ever demonstrated the effect that close associations of active sites with surfaces have on the catalytic activity. In this paper, we immobilize H2Ru(PPh3)2(Ph2P)2N–C3H6–Si(OEt)3 (3) on SiO2, Al2O3, and ZnO and interrogate the relationship to the surface using IR, MAS NMR, 1H–31P HETCOR, and XAS spectroscopies. We found that while there are close contacts between the P atoms of the complex and all three metal oxide surfaces, the Ru–H bond only reacts with oxygen bridges on SiO2 and Al2O3, forming new Ru–O bonds. In contrast, complex 3 stays intact on ZnO. Comparison of the catalytic activities of our immobilized species for CO2 hydrogenation to ethyl formate showed that Lewis acidic metal oxides activate, rather than deactivate, complex 3 in the order Al2O3 > ZnO > SiO2. The Lewis acidic sites on the metal oxide surfaces most likely increase the productivity by increasing the rate of esterification of formate intermediates.}}, author = {{Nguyen, Hoang-Huy and Li, Zheng and Enenkel, Toni and Hildebrand, Joachim and Bauer, Matthias and Dyballa, Michael and Estes, Deven P.}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}}, number = {{27}}, pages = {{14627--14635}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation}}}, doi = {{10.1021/acs.jpcc.1c02074}}, volume = {{125}}, year = {{2021}}, } @article{41003, abstract = {{Combining strong σ-donating N-heterocyclic carbene ligands and π-accepting pyridine ligands with a high octahedricity in rigid iron(II) complexes increases the 3MLCT lifetime from 0.15 ps in the prototypical [Fe(tpy)2]2+ complex to 9.2 ps in [Fe(dpmi)2]2+12+. The tripodal CNN ligand dpmi (di(pyridine-2-yl)(3-methylimidazol-2-yl)methane) forms six-membered chelate rings with the iron(II) centre leading to close to 90° bite angles and enhanced iron-ligand orbital overlap}}, author = {{Reuter, Thomas and Kruse, Ayla and Schoch, Roland and Lochbrunner, Stefan and Bauer, Matthias and Heinze, Katja}}, issn = {{1359-7345}}, journal = {{Chemical Communications}}, keywords = {{Materials Chemistry, Metals and Alloys, Surfaces, Coatings and Films, General Chemistry, Ceramics and Composites, Electronic, Optical and Magnetic Materials, Catalysis}}, number = {{61}}, pages = {{7541--7544}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Higher MLCT lifetime of carbene iron(ii) complexes by chelate ring expansion}}}, doi = {{10.1039/d1cc02173g}}, volume = {{57}}, year = {{2021}}, } @article{29748, author = {{Slawig, Diana and Gruschwitz, Markus and Gerstmann, Uwe and Rauls, Eva and Tegenkamp, Christoph}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}}, number = {{36}}, pages = {{20087--20093}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene}}}, doi = {{10.1021/acs.jpcc.1c06320}}, volume = {{125}}, year = {{2021}}, } @article{41516, author = {{Tillmann, Wolfgang and Lopes Dias, Nelson Filipe and Franke, Carlo and Kokalj, David and Stangier, Dominic and Filor, Viviane and Mateus-Vargas, Rafael Hernán and Oltmanns, Hilke and Kietzmann, Manfred and Meißner, Jessica and Hein, Maxwell and Pramanik, Sudipta and Hoyer, Kay-Peter and Schaper, Mirko and Nienhaus, Alexander and Thomann, Carl Arne and Debus, Jörg}}, issn = {{0257-8972}}, journal = {{Surface and Coatings Technology}}, keywords = {{Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Condensed Matter Physics, General Chemistry}}, publisher = {{Elsevier BV}}, title = {{{Tribo-mechanical properties and biocompatibility of Ag-containing amorphous carbon films deposited onto Ti6Al4V}}}, doi = {{10.1016/j.surfcoat.2021.127384}}, volume = {{421}}, year = {{2021}}, } @article{46013, author = {{Liu, Dan and Zhai, Haichao and Hu, Jie and Pan, Ying and Xu, Gengsheng and Zhu, Chuhong and Yuan, Yupeng}}, issn = {{0272-8842}}, journal = {{Ceramics International}}, keywords = {{Materials Chemistry, Surfaces, Coatings and Films, Process Chemistry and Technology, Ceramics and Composites, Electronic, Optical and Magnetic Materials}}, number = {{4}}, pages = {{5759--5765}}, publisher = {{Elsevier BV}}, title = {{{A composite consisting of intermetallic Ni3Fe and nitrogen-doped carbon for electrocatalytic water oxidation: The effect of increased pyridinic nitrogen dopant}}}, doi = {{10.1016/j.ceramint.2021.11.123}}, volume = {{48}}, year = {{2021}}, } @article{41007, abstract = {{Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+ pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with four mesoionic carbenes.}}, author = {{Dierks, Philipp and Kruse, Ayla and Bokareva, Olga S. and Al-Marri, Mohammed J. and Kalmbach, Jens and Baltrun, Marc and Neuba, Adam and Schoch, Roland and Hohloch, Stephan and Heinze, Katja and Seitz, Michael and Kühn, Oliver and Lochbrunner, Stefan and Bauer, Matthias}}, issn = {{1359-7345}}, journal = {{Chemical Communications}}, keywords = {{Materials Chemistry, Metals and Alloys, Surfaces, Coatings and Films, General Chemistry, Ceramics and Composite, Metallkomplexe, Optical and Magnetic Materials, Catalysis}}, number = {{54}}, pages = {{6640--6643}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes}}}, doi = {{10.1039/d1cc01716k}}, volume = {{57}}, year = {{2021}}, } @article{40433, author = {{Dong, Chuan-Ding and Schumacher, Stefan}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}}, number = {{40}}, pages = {{21824--21830}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors}}}, doi = {{10.1021/acs.jpcc.1c05666}}, volume = {{125}}, year = {{2021}}, } @article{33646, author = {{Majumdar, I. and Sahoo, S.K. and Parvan, V. and Mirhosseini, Hossein and Chacko, B. and Wang, Y. and Greiner, D. and Kühne, Thomas and Schlatmann, R. and Lauermann, I.}}, issn = {{0169-4332}}, journal = {{Applied Surface Science}}, keywords = {{Surfaces, Coatings and Films, Condensed Matter Physics, Surfaces and Interfaces, General Physics and Astronomy, General Chemistry}}, publisher = {{Elsevier BV}}, title = {{{Effects of KF and RbF treatments on Cu(In,Ga)Se2-based solar cells: A combined photoelectron spectroscopy and DFT study}}}, doi = {{10.1016/j.apsusc.2020.148085}}, volume = {{538}}, year = {{2020}}, }