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1252 Publications


2022 | Journal Article | LibreCat-ID: 34654
Microstructure and corrosion properties of PBF-LB produced carbide nanoparticles additivated AlSi10Mg parts
I.M. Kusoglu, P. Vieth, S. Heiland, F. Huber, A. Lüddecke, A.R. Ziefuss, A. Kwade, M. Schmidt, M. Schaper, S. Barcikowski, G. Grundmeier, Procedia CIRP 111 (2022) 10–13.
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2022 | Conference Abstract | LibreCat-ID: 44376
Development of Battery System Based on Na-S and Characterization Using X-ray Absorption Spectroscopy
G. Tonbul, J. Kappler, S. Murugan, R. Schoch, M. Nowakowski, P. Lange, M. Bauer, M.R. Buchmeiser, in: Edinburgh, 2022.
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2022 | Journal Article | LibreCat-ID: 45007 LibreCat | DOI
 

2022 | Journal Article | LibreCat-ID: 45010
Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt
R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam, JACS Au 2 (12) (2022) 2693–2702.
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2022 | Journal Article | LibreCat-ID: 45008
Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives
S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, B. Kirchner, J. Phys. Chem. A 126 (40) (2022) 7070–7083.
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2022 | Journal Article | LibreCat-ID: 45009
Cluster Analysis in Liquids: A Novel Tool in TRAVIS
T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner, J. Chem. Inf. Model. 62 (22) (2022) 5634–5644.
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2022 | Journal Article | LibreCat-ID: 33834
A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices
A.G.M. Mathieson, W.M. Dose, H.-G. Steinrück, C.J. Takacs, S. Feldmann, R. Pandya, A.J. Merryweather, D. Mackanic, A. Rao, F. Deschler, M. De Volder, Energy & Environmental Science 15 (2022) 4323–4337.
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2022 | Preprint | LibreCat-ID: 32404
CP2K on the road to exascale
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
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2022 | Journal Article | LibreCat-ID: 33684 | OA
Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
LibreCat | DOI | Download (ext.)
 

2022 | Journal Article | LibreCat-ID: 46479
Oxidation stability of chromium aluminum oxynitride hard coatings
K. Bobzin, C. Kalscheuer, G. Grundmeier, S. Kollmann, M. Carlet, M.T. de los Arcos de Pedro, Surface and Coatings Technology 449 (2022).
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2022 | Conference Paper | LibreCat-ID: 35830
Modeling-based learning about chemical phenomena in primary education
J. Elsner, C. Tenberge, S. Fechner, in: G.S. Carvalho, A.S. Afonso, Z. Anastácio (Eds.), Fostering Scientific Citizenship in an Uncertain World (Proceedings of ESERA 2021), CIEC, University of Minho, Braga, n.d., pp. 1241–1249.
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2022 | Conference Paper | LibreCat-ID: 33559
Analogien zur Förderung schülerseitigen Modellierens im Sachunterricht
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig, H. van Vorst (Eds.), Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen, 2022, pp. 500–503.
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2022 | Journal Article | LibreCat-ID: 40987
Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation
S. Schlicher, N. Prinz, J. Bürger, A. Omlor, C. Singer, M. Zobel, R. Schoch, J.K.N. Lindner, V. Schünemann, S. Kureti, M. Bauer, Catalysts 12 (2022).
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2022 | Journal Article | LibreCat-ID: 43021
Electrografting of BTSE: Zn films for advanced steel-aluminum joining by plastic deformation
B. Duderija, A. González-Orive, H.C. Schmidt, J.C. Calderón, I. Hordych, H.J. Maier, W. Homberg, G. Grundmeier, Journal of Advanced Joining Processes 7 (2022).
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2022 | Journal Article | LibreCat-ID: 32283
Untersuchung von Klebverbindungen für Batteriegehäuse
T. Schmolke, G. Meschut, F. Rieker, D. Meinderink, G. Grundmeier, adhäsion KLEBEN & DICHTEN 66 (2022) 40–43.
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2022 | Journal Article | LibreCat-ID: 40986
High resolution off resonant spectroscopy as a probe of the oxidation state
M. Nowakowski, A. Kalinko, J. Szlachetko, R. Fanselow, M. Bauer, Journal of Analytical Atomic Spectrometry 37 (2022) 2383–2391.
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2022 | Journal Article | LibreCat-ID: 40988
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation
S. Weber, R.T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S. Wendholt, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. Huang, C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher, T.L. Sheppard, ChemCatChem 14 (2022).
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2021 | Book Chapter | LibreCat-ID: 24935 | OA
Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften
A. Bauer, M. Sacher, S. Habig, S. Fechner, in: I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, N. Vöing (Eds.), Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre, transcript Verlag, Bielefeld, 2021, pp. 155–168.
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2021 | Journal Article | LibreCat-ID: 25182
Water or Anion? Uncovering the Zn2+ Solvation Environment in Mixed Zn(TFSI)2 and LiTFSI Water-in-Salt Electrolytes
Y. Zhang, G. Wan, N.H.C. Lewis, J. Mars, S.E. Bone, H.-G. Steinrück, M.R. Lukatskaya, N.J. Weadock, M. Bajdich, O. Borodin, A. Tokmakoff, M.F. Toney, E.J. Maginn, ACS Energy Letters 6 (2021) 3458–3463.
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2021 | Journal Article | LibreCat-ID: 25183
Quantification of Efficiency in Lithium Metal Negative Electrodes via Operando X-ray Diffraction
N.R. Geise, R.M. Kasse, J. Nelson Weker, H.-G. Steinrück, M.F. Toney, Chemistry of Materials 33 (2021) 7537–7545.
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2021 | Journal Article | LibreCat-ID: 25184
Toward Unraveling the Origin of Lithium Fluoride in the Solid Electrolyte Interphase
C. Cao, T.P. Pollard, O. Borodin, J.E. Mars, Y. Tsao, M.R. Lukatskaya, R.M. Kasse, M.A. Schroeder, K. Xu, M.F. Toney, H.-G. Steinrück, Chemistry of Materials 33 (2021) 7315–7336.
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2021 | Journal Article | LibreCat-ID: 25272
Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte
K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, W. Bremser, ChemElectroChem (2021) 2155–2168.
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2021 | Journal Article | LibreCat-ID: 28198 LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 26011
Self-Assembled Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures
D. Hense, A. Büngeler, F. Kollmann, M. Hanke, A. Orive, A. Keller, G. Grundmeier, K. Huber, O.I. Strube, Biomacromolecules 22 (2021) 4084–4094.
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2021 | Conference Paper | LibreCat-ID: 26718 | OA
Erweiterung des epistemologischen Verständnisses durch Konfrontation mit anomalen Daten.
P. Pollmeier, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, Universität Duisburg-Essen, 2021, pp. 605–608.
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2021 | Journal Article | LibreCat-ID: 26759
Morphological Dynamics of Leukemia Cells on TiO2 Nanoparticle Coatings Studied by AFM
J.A. Garcia Diosa, A. Gonzalez Orive, G. Grundmeier, R.J. Camargo Amado, A. Keller, Applied Sciences 11 (2021) 9898.
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2021 | Journal Article | LibreCat-ID: 26985
Influence of thickness, homogeneity, and morphology of TiO2-m nanoparticle coatings on cancer cell adhesion
J.A. Garcia-Diosa, A.G. Orive, G. Grundmeier, A. Keller, R.J. Camargo-Amado, Surface and Coatings Technology (2021) 127823.
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2021 | Journal Article | LibreCat-ID: 27016
Using In Situ High-Energy X-ray Diffraction to Quantify Electrode Behavior of Li-Ion Batteries from Extreme Fast Charging
P.P. Paul, C. Cao, V. Thampy, H.-G. Steinrück, T.R. Tanim, A.R. Dunlop, S.E. Trask, A.N. Jansen, E.J. Dufek, J. Nelson Weker, M.F. Toney, ACS Applied Energy Materials 4 (2021) 11590–11598.
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2021 | Journal Article | LibreCat-ID: 27017
Unraveling the Unconventional Order of a High-Mobility Indacenodithiophene–Benzothiadiazole Copolymer
C. Cendra, L. Balhorn, W. Zhang, K. O’Hara, K. Bruening, C.J. Tassone, H.-G. Steinrück, M. Liang, M.F. Toney, I. McCulloch, M.L. Chabinyc, A. Salleo, C.J. Takacs, ACS Macro Letters 10 (2021) 1306–1314.
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2021 | Journal Article | LibreCat-ID: 21207
Guanine condensates as covalent materials and the concept of cryptopores
J. Kossmann, D. Piankova, N. V. Tarakina, J.J. Heske, T. Kühne, J. Schmidt, M. Antonietti, N. López-Salas, Carbon 172 (2021) 497–505.
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2021 | Journal Article | LibreCat-ID: 23609
Visualization of dynamic polaronic strain fields in hybrid lead halide perovskites
B. Guzelturk, T. Winkler, T.W.J. Van de Goor, M.D. Smith, S.A. Bourelle, S. Feldmann, M. Trigo, S.W. Teitelbaum, H.-G. Steinrück, G.A. de la Pena, R. Alonso-Mori, D. Zhu, T. Sato, H.I. Karunadasa, M.F. Toney, F. Deschler, A.M. Lindenberg, Nature Materials 20 (2021) 618–623.
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2021 | Journal Article | LibreCat-ID: 23610
A Review of Existing and Emerging Methods for Lithium Detection and Characterization in Li‐Ion and Li‐Metal Batteries
P.P. Paul, E.J. McShane, A.M. Colclasure, N. Balsara, D.E. Brown, C. Cao, B. Chen, P.R. Chinnam, Y. Cui, E.J. Dufek, D.P. Finegan, S. Gillard, W. Huang, Z.M. Konz, R. Kostecki, F. Liu, S. Lubner, R. Prasher, M.B. Preefer, J. Qian, M.F. Rodrigues, M. Schnabel, S. Son, V. Srinivasan, H.-G. Steinrück, T.R. Tanim, M.F. Toney, W. Tong, F. Usseglio‐Viretta, J. Wan, M. Yusuf, B.D. McCloskey, J. Nelson Weker, Advanced Energy Materials 11 (2021) 2100372.
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2021 | Journal Article | LibreCat-ID: 23612
Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies
Y. Zhang, N.H.C. Lewis, J. Mars, G. Wan, N.J. Weadock, C.J. Takacs, M.R. Lukatskaya, H.-G. Steinrück, M.F. Toney, A. Tokmakoff, E.J. Maginn, The Journal of Physical Chemistry B 125 (2021) 4501–4513.
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2021 | Journal Article | LibreCat-ID: 23613
Oligothiophene Phosphonic Acids for Self-Assembled Monolayer Field-Effect Transistors
B. Zhao, B. Gothe, A. Groh, T. Schmaltz, J. Will, H.-G. Steinrück, T. Unruh, S. Mecking, M. Halik, ACS Applied Materials & Interfaces 13 (2021) 32461–32466.
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2021 | Journal Article | LibreCat-ID: 23614
Lamellar carbon-aluminosilicate nanocomposites with macroscopic orientation
D. Paripović, L. Hartmann, H.-G. Steinrück, A. Magerl, G. Li-Destri, Y. Fontana, A. Fontcuberta i Morral, E. Oveisi, E. Bomal, H. Frauenrath, Nanoscale 13 (2021) 13650–13657.
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2021 | Journal Article | LibreCat-ID: 23615
Quantification of heterogeneous, irreversible lithium plating in extreme fast charging of lithium-ion batteries
P.P. Paul, V. Thampy, C. Cao, H.-G. Steinrück, T.R. Tanim, A.R. Dunlop, E.J. Dufek, S.E. Trask, A.N. Jansen, M.F. Toney, J. Nelson Weker, Energy & Environmental Science 14 (2021) 4979–4988.
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2021 | Journal Article | LibreCat-ID: 23616
Orientation-Dependent Distortion of Lamellae in a Block Copolymer Electrolyte under DC Polarization
M.D. Galluzzo, L.S. Grundy, C.J. Takacs, C. Cao, H.-G. Steinrück, S. Fu, M.A. Rivas Valadez, M.F. Toney, N.P. Balsara, Macromolecules 54 (2021) 7808–7824.
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2021 | Journal Article | LibreCat-ID: 22636
Nanoscale Surface Topography Modulates hIAPP Aggregation Pathways at Solid–Liquid Interfaces
M. Hanke, Y. Yang, Y. Ji, G. Grundmeier, A. Keller, International Journal of Molecular Sciences 22 (2021) 5142.
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2021 | Journal Article | LibreCat-ID: 22637
Unraveling the interaction between doxorubicin and DNA origami nanostructures for customizable chemotherapeutic drug release
H. Ijäs, B. Shen, A. Heuer-Jungemann, A. Keller, M.A. Kostiainen, T. Liedl, J.A. Ihalainen, V. Linko, Nucleic Acids Research 49 (2021) 3048–3062.
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2021 | Journal Article | LibreCat-ID: 22638
Scaling Up DNA Origami Lattice Assembly.
Y. Xin, B. Shen, M. Kostiainen, G. Grundmeier, M. Castro, V. Linko, A. Keller, Chemistry – A European Journal 27 (2021) 8564–8571.
LibreCat | DOI | PubMed | Europe PMC
 

2021 | Journal Article | LibreCat-ID: 22639
Protein Adsorption at Nanorough Titanium Oxide Surfaces: The Importance of Surface Statistical Parameters beyond Surface Roughness.
Y. Yang, S. Knust, S. Schwiderek, Q. Qin, Q. Yun, G. Grundmeier, A. Keller, Nanomaterials 11 (2021) 357.
LibreCat | DOI | PubMed | Europe PMC
 

2021 | Journal Article | LibreCat-ID: 22640
Biotemplated Lithography of Inorganic Nanostructures (BLIN) for Versatile Patterning of Functional Materials
P. Piskunen, B. Shen, A. Keller, J.J. Toppari, M.A. Kostiainen, V. Linko, ACS Applied Nano Materials 4 (2021) 529–538.
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2021 | Journal Article | LibreCat-ID: 22641
DNA Nanostructures in the Fight Against Infectious Diseases.
D. Smith, A. Keller, Advanced NanoBiomed Research 1 (2021) 2000049.
LibreCat | DOI | PubMed | Europe PMC
 

2021 | Journal Article | LibreCat-ID: 22642
Adsorption of SARS-CoV-2 Spike Protein S1 at Oxide Surfaces Studied by High-Speed Atomic Force Microscopy.
Y. Xin, G. Grundmeier, A. Keller, Advanced NanoBiomed Research 1 (2021) 2170023.
LibreCat | DOI | PubMed | Europe PMC
 

2021 | Journal Article | LibreCat-ID: 22643
Effect of nanoscale surface topography on the adsorption of globular proteins
Y. Yang, M. Yu, F. Böke, Q. Qin, R. Hübner, S. Knust, S. Schwiderek, G. Grundmeier, H. Fischer, A. Keller, Applied Surface Science 535 (2021) 147671.
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2021 | Journal Article | LibreCat-ID: 22688
Effect of PAA-induced surface etching on the adhesion properties of ZnO nanostructured films
D. Meinderink, C. Kielar, O. Sobol, L. Ruhm, F. Rieker, K. Nolkemper, A.G. Orive, O. Ozcan, G. Grundmeier, International Journal of Adhesion and Adhesives (2021).
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2021 | Journal Article | LibreCat-ID: 22697
In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma
S. Knust, L. Ruhm, A. Kuhlmann, D. Meinderink, J. Bürger, J.K.N. Lindner, M.T. Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy (2021) 1237–1245.
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2021 | Journal Article | LibreCat-ID: 22773
Ion Beam Nanopatterning of Biomaterial Surfaces
Y. Yang, A. Keller, Applied Sciences 11 (2021) 6575.
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2021 | Journal Article | LibreCat-ID: 22859
Enhanced corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline ZnO thin film deposition and molecular adhesion promoting films
R. Grothe, J.A. Striewe, D. Meinderink, T. Tröster, G. Grundmeier, The Journal of Adhesion (2021).
LibreCat | DOI
 

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