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1252 Publications
2022 | Journal Article | LibreCat-ID: 33689
Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se 2 Thin‐Film Solar Cells
M. Raghuwanshi, M. Chugh, G. Sozzi, A. Kanevce, T. Kühne, H. Mirhosseini, R. Wuerz, O. Cojocaru‐Mirédin, Advanced Materials 34 (2022).
LibreCat
| DOI
M. Raghuwanshi, M. Chugh, G. Sozzi, A. Kanevce, T. Kühne, H. Mirhosseini, R. Wuerz, O. Cojocaru‐Mirédin, Advanced Materials 34 (2022).
2022 | Journal Article | LibreCat-ID: 33690
Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?
J. Ibaceta-Jaña, M. Chugh, A.S. Novikov, H. Mirhosseini, T. Kühne, B. Szyszka, M.R. Wagner, R. Muydinov, The Journal of Physical Chemistry C 126 (2022) 16215–16226.
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| DOI
J. Ibaceta-Jaña, M. Chugh, A.S. Novikov, H. Mirhosseini, T. Kühne, B. Szyszka, M.R. Wagner, R. Muydinov, The Journal of Physical Chemistry C 126 (2022) 16215–16226.
2022 | Journal Article | LibreCat-ID: 33683
Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid
E. Lepre, J.J. Heske, M. Nowakowski, E. Scoppola, I. Zizak, T. Heil, T. Kühne, M. Antonietti, N. López-Salas, J. Albero, Nano Energy 97 (2022).
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| DOI
E. Lepre, J.J. Heske, M. Nowakowski, E. Scoppola, I. Zizak, T. Heil, T. Kühne, M. Antonietti, N. López-Salas, J. Albero, Nano Energy 97 (2022).
2022 | Research Data | LibreCat-ID: 33688
Time resolved THz-Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water
V. Balos, N.K. Kaliannan, H. Elgabarty, M. Wolf, T. Kühne, M. Sajadi, Time Resolved THz-Raman Spectroscopy Reveals That Cations and Anions Distinctly Modify Intermolecular Interactions of Water, LibreCat University, 2022.
LibreCat
| DOI
V. Balos, N.K. Kaliannan, H. Elgabarty, M. Wolf, T. Kühne, M. Sajadi, Time Resolved THz-Raman Spectroscopy Reveals That Cations and Anions Distinctly Modify Intermolecular Interactions of Water, LibreCat University, 2022.
2022 | Journal Article | LibreCat-ID: 33833
Giant Orbital Anisotropy with Strong Spin–Orbit Coupling Established at the Pseudomorphic Interface of the Co/Pd Superlattice
S. Kim, S. Pathak, S.H. Rhim, J. Cha, S. Jekal, S.C. Hong, H.H. Lee, S. Park, H. Lee, J. Park, S. Lee, H.-G. Steinrück, A. Mehta, S.X. Wang, J. Hong, Advanced Science 9 (2022) 2201749.
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S. Kim, S. Pathak, S.H. Rhim, J. Cha, S. Jekal, S.C. Hong, H.H. Lee, S. Park, H. Lee, J. Park, S. Lee, H.-G. Steinrück, A. Mehta, S.X. Wang, J. Hong, Advanced Science 9 (2022) 2201749.
2022 | Journal Article | LibreCat-ID: 30202
Emotionale Erfahrungen von Lehramtsstudierenden bei der Arbeit mit Eigenvideografien von Unterricht – Fallanalysen aus einer längsschnittlichen Interviewstudie im Praxissemester
P. Pollmeier, T. Rogge, C. Vogelsang, ZeHf – Zeitschrift Für Empirische Hochschulforschung 5 (2022) 20–37.
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P. Pollmeier, T. Rogge, C. Vogelsang, ZeHf – Zeitschrift Für Empirische Hochschulforschung 5 (2022) 20–37.
2022 | Journal Article | LibreCat-ID: 35642
Hydrogel-Based Biosensors
K. Völlmecke, R. Afroz, S. Bierbach, L.J. Brenker, S. Frücht, A. Glass, R. Giebelhaus, A. Hoppe, K. Kanemaru, M. Lazarek, L. Rabbe, L. Song, A. Velasco Suarez, S. Wu, M. Serpe, D. Kuckling, Gels 8 (2022).
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K. Völlmecke, R. Afroz, S. Bierbach, L.J. Brenker, S. Frücht, A. Glass, R. Giebelhaus, A. Hoppe, K. Kanemaru, M. Lazarek, L. Rabbe, L. Song, A. Velasco Suarez, S. Wu, M. Serpe, D. Kuckling, Gels 8 (2022).
2022 | Journal Article | LibreCat-ID: 32416
Hyphenation of ultra-high-performance liquid chromatography and ion mobility mass spectrometry for the analysis of sequence-defined oligomers with different functionalities and tacticity
M.-T. Berg, A. Herberg, D. Kuckling, International Journal of Polymer Analysis and Characterization (2022) 1–12.
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M.-T. Berg, A. Herberg, D. Kuckling, International Journal of Polymer Analysis and Characterization (2022) 1–12.
2022 | Journal Article | LibreCat-ID: 35645
Quinuclidine-Immobilized Porous Polymeric Microparticles as a Compelling Catalyst for the Baylis–Hillman Reaction
A. Kumar, D. Kuckling, L. Nebhani, ACS Applied Polymer Materials 4 (2022) 8996–9005.
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| DOI
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A. Kumar, D. Kuckling, L. Nebhani, ACS Applied Polymer Materials 4 (2022) 8996–9005.
2022 | Journal Article | LibreCat-ID: 32865
Branching analysis of β-cyclodextrin-based poly(N-isopropylacrylamide) star polymers using triple detection SEC
A. Herberg, D. Kuckling, International Journal of Polymer Analysis and Characterization (2022) 1–19.
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| DOI
A. Herberg, D. Kuckling, International Journal of Polymer Analysis and Characterization (2022) 1–19.
2022 | Journal Article | LibreCat-ID: 36874
Nano-FTIR and chemical force analysis of electrografted aryldiazonium salts on ODT-microcontact printed Au-surfaces
J. Su, A. González Orive, G. Grundmeier, Applied Surface Science 609 (2022).
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| DOI
J. Su, A. González Orive, G. Grundmeier, Applied Surface Science 609 (2022).
2022 | Journal Article | LibreCat-ID: 36872
Oxidation stability of chromium aluminum oxynitride hard coatings
K. Bobzin, C. Kalscheuer, G. Grundmeier, T. de los Arcos, S. Kollmann, M. Carlet, Surface and Coatings Technology 449 (2022).
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K. Bobzin, C. Kalscheuer, G. Grundmeier, T. de los Arcos, S. Kollmann, M. Carlet, Surface and Coatings Technology 449 (2022).
2022 | Journal Article | LibreCat-ID: 36873
Thin Organic‐Inorganic Anti‐Fouling Hybrid‐Films for Microreactor Components
V. Neßlinger, S. Welzel, F. Rieker, D. Meinderink, U. Nieken, G. Grundmeier, Macromolecular Reaction Engineering (2022).
LibreCat
| DOI
V. Neßlinger, S. Welzel, F. Rieker, D. Meinderink, U. Nieken, G. Grundmeier, Macromolecular Reaction Engineering (2022).
2022 | Journal Article | LibreCat-ID: 36804
Remote epitaxy of In(x)Ga(1-x)As(001) on graphene covered GaAs(001) substrates
T. Henksmeier, J.F. Schulz, E. Kluth, M. Feneberg, R. Goldhahn, A.M. Sanchez, M. Voigt, G. Grundmeier, D. Reuter, Journal of Crystal Growth 593 (2022).
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| DOI
T. Henksmeier, J.F. Schulz, E. Kluth, M. Feneberg, R. Goldhahn, A.M. Sanchez, M. Voigt, G. Grundmeier, D. Reuter, Journal of Crystal Growth 593 (2022).
2022 | Journal Article | LibreCat-ID: 35977
Influence of surface activation on the microporosity of PE‐CVD and PE‐ALD SiO x thin films on PDMS
C. Hoppe, F. Mitschker, L. Mai, M.O. Liedke, M.T. de los Arcos de Pedro, P. Awakowicz, A. Devi, A.G. Attallah, M. Butterling, A. Wagner, G. Grundmeier, Plasma Processes and Polymers 19 (2022).
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| DOI
C. Hoppe, F. Mitschker, L. Mai, M.O. Liedke, M.T. de los Arcos de Pedro, P. Awakowicz, A. Devi, A.G. Attallah, M. Butterling, A. Wagner, G. Grundmeier, Plasma Processes and Polymers 19 (2022).
2022 | Journal Article | LibreCat-ID: 35976
Challenges in the interpretation of gas core levels for the determination of gas-solid interactions within dielectric porous films by ambient pressure XPS
M.T. de los Arcos de Pedro, C. Weinberger, F. Zysk, V. Raj Damerla, S. Kollmann, P. Vieth, M. Tiemann, T.D. Kühne, G. Grundmeier, Applied Surface Science 604 (2022).
LibreCat
| DOI
M.T. de los Arcos de Pedro, C. Weinberger, F. Zysk, V. Raj Damerla, S. Kollmann, P. Vieth, M. Tiemann, T.D. Kühne, G. Grundmeier, Applied Surface Science 604 (2022).
2022 | Journal Article | LibreCat-ID: 35974
Comparative analysis of hexamethyldisiloxane and hexamethyldisilazane plasma polymer thin films before and after plasma oxidation
X. Xie, M.T. de los Arcos de Pedro, G. Grundmeier, Plasma Processes and Polymers 19 (2022).
LibreCat
| DOI
X. Xie, M.T. de los Arcos de Pedro, G. Grundmeier, Plasma Processes and Polymers 19 (2022).
2022 | Journal Article | LibreCat-ID: 37942
Trendbericht Organische Chemie 2022
J.N. Andexer, U. Beifuss, M. Brasholz, R. Breinbauer, M. Breugst, O. Dumele, M. Ernst, R. Ganardi, M. Giese, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, T. Lindel, C. Mück‐Lichtenfeld, J. Niemeyer, R. Pfau, F. Pfrengle, J. Pietruszka, J.L. Röckl, N. Schaschke, H. Sebode, M.O. Senge, B.F. Straub, J. Teichert, S.R. Waldvogel, T. Werner, C. Winter, Nachrichten Aus Der Chemie 70 (2022) 42–69.
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J.N. Andexer, U. Beifuss, M. Brasholz, R. Breinbauer, M. Breugst, O. Dumele, M. Ernst, R. Ganardi, M. Giese, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, T. Lindel, C. Mück‐Lichtenfeld, J. Niemeyer, R. Pfau, F. Pfrengle, J. Pietruszka, J.L. Röckl, N. Schaschke, H. Sebode, M.O. Senge, B.F. Straub, J. Teichert, S.R. Waldvogel, T. Werner, C. Winter, Nachrichten Aus Der Chemie 70 (2022) 42–69.
2022 | Journal Article | LibreCat-ID: 37938
Synthesis of Cyclic Carbonates Catalyzed by CaI2–Et3N and Studies on Their Biocatalytic Kinetic Resolution
C. Terazzi, K. Laatz, J. von Langermann, T. Werner, ACS Sustainable Chemistry and Engineering 10 (2022) 13335–13342.
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| DOI
C. Terazzi, K. Laatz, J. von Langermann, T. Werner, ACS Sustainable Chemistry and Engineering 10 (2022) 13335–13342.
2022 | Journal Article | LibreCat-ID: 37940
Synthesis of Bifunctional Phosphonium Salts Bearing Perfluorinated Side Chains and Their Application in the Synthesis of Cyclic Carbonates from Epoxides and CO 2
C. Ren, A. Spannenberg, T. Werner, Asian Journal of Organic Chemistry 11 (2022).
LibreCat
| DOI
C. Ren, A. Spannenberg, T. Werner, Asian Journal of Organic Chemistry 11 (2022).
2022 | Journal Article | LibreCat-ID: 35703
Cover Feature: Impact of Heterocycle Annulation on NIR Absorbance in Quinoid Thioacene Derivatives (Chem. Eur. J. 23/2022)
P. Hou, S. Peschtrich, N. Huber, W. Feuerstein, A. Bihlmeier, I. Krummenacher, R. Schoch, W. Klopper, F. Breher, J. Paradies, Chemistry – A European Journal 28 (2022).
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| DOI
P. Hou, S. Peschtrich, N. Huber, W. Feuerstein, A. Bihlmeier, I. Krummenacher, R. Schoch, W. Klopper, F. Breher, J. Paradies, Chemistry – A European Journal 28 (2022).
2022 | Journal Article | LibreCat-ID: 40984
Synthesis and Characterization of Catalytically Active Au Core─Pd Shell Nanoparticles Supported on Alumina
Y. Feng, A. Schaefer, A. Hellman, M. Di, H. Härelind, M. Bauer, P.-A. Carlsson, Langmuir 38 (2022) 12859–12870.
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Y. Feng, A. Schaefer, A. Hellman, M. Di, H. Härelind, M. Bauer, P.-A. Carlsson, Langmuir 38 (2022) 12859–12870.
2022 | Journal Article | LibreCat-ID: 40993
Single-Layer T′ Nickelates: Synthesis of the La and Pr Members and Electronic Properties across the Rare-Earth Series
K. Wissel, F. Bernardini, H. Oh, S. Vasala, R. Schoch, B. Blaschkowski, P. Glatzel, M. Bauer, O. Clemens, A. Cano, Chemistry of Materials 34 (2022) 7201–7209.
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| DOI
K. Wissel, F. Bernardini, H. Oh, S. Vasala, R. Schoch, B. Blaschkowski, P. Glatzel, M. Bauer, O. Clemens, A. Cano, Chemistry of Materials 34 (2022) 7201–7209.
2022 | Journal Article | LibreCat-ID: 40985
Pseudo‐Octahedral Iron(II) Complexes with Near‐Degenerate Charge Transfer and Ligand Field States at the Franck‐Condon Geometry
J. Moll, R. Naumann, L. Sorge, C. Förster, N. Gessner, L. Burkhardt, N. Ugur, P. Nuernberger, W. Seidel, C. Ramanan, M. Bauer, K. Heinze, Chemistry – A European Journal 28 (2022).
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| DOI
J. Moll, R. Naumann, L. Sorge, C. Förster, N. Gessner, L. Burkhardt, N. Ugur, P. Nuernberger, W. Seidel, C. Ramanan, M. Bauer, K. Heinze, Chemistry – A European Journal 28 (2022).
2022 | Dissertation | LibreCat-ID: 41008
Synthesis and characterization of multichromophoric iron(II) complexes as novel photosensitizers
P. Dierks, Synthesis and Characterization of Multichromophoric Iron(II) Complexes as Novel Photosensitizers, 2022.
LibreCat
| DOI
P. Dierks, Synthesis and Characterization of Multichromophoric Iron(II) Complexes as Novel Photosensitizers, 2022.
2022 | Dissertation | LibreCat-ID: 41014
Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic Hydrogen Evolution
M. Huber-Gedert, Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic Hydrogen Evolution, 2022.
LibreCat
M. Huber-Gedert, Base Metal Iron(II)-Cobalt(III) Dyads for Photocatalytic Hydrogen Evolution, 2022.
2022 | Journal Article | LibreCat-ID: 36425
Tuning of antifouling active PDMS domains tethered to epoxy/amine surface
D. Dogan, S. Ruthmann, O. Seewald, W. Bremser, Progress in Organic Coatings 170 (2022).
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| DOI
D. Dogan, S. Ruthmann, O. Seewald, W. Bremser, Progress in Organic Coatings 170 (2022).
2022 | Journal Article | LibreCat-ID: 41810
Reversible functionalization and exfoliation of graphite by a Diels–Alder reaction with furfuryl amine
N.F. Torkaman, M. Kley, W. Bremser, R. Wilhelm, RSC Advances 12 (2022) 17249–17256.
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| DOI
N.F. Torkaman, M. Kley, W. Bremser, R. Wilhelm, RSC Advances 12 (2022) 17249–17256.
2022 | Journal Article | LibreCat-ID: 33687
“Red Carbon”: A Rediscovered Covalent Crystalline Semiconductor
M. Odziomek, P. Giusto, J. Kossmann, N.V. Tarakina, J.J. Heske, S.M. Rivadeneira, W. Keil, C. Schmidt, S. Mazzanti, O. Savateev, L. Perdigón‐Toro, D. Neher, T. Kühne, M. Antonietti, N. López‐Salas, Advanced Materials 34 (2022).
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| DOI
M. Odziomek, P. Giusto, J. Kossmann, N.V. Tarakina, J.J. Heske, S.M. Rivadeneira, W. Keil, C. Schmidt, S. Mazzanti, O. Savateev, L. Perdigón‐Toro, D. Neher, T. Kühne, M. Antonietti, N. López‐Salas, Advanced Materials 34 (2022).
2022 | Journal Article | LibreCat-ID: 41649
Targeted Synthesis of the Type-A Particle Substructure from Enzymatically Produced Eumelanin
A. Büngeler, F. Kollmann, K. Huber, O.I. Strube, Biomacromolecules 23 (2022) 1020–1029.
LibreCat
| DOI
A. Büngeler, F. Kollmann, K. Huber, O.I. Strube, Biomacromolecules 23 (2022) 1020–1029.
2022 | Journal Article | LibreCat-ID: 29790 | 
Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors
L. Kothe, M. Albert, C. Meier, T. Wagner, M. Tiemann, Advanced Materials Interfaces (2022).
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| DOI
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L. Kothe, M. Albert, C. Meier, T. Wagner, M. Tiemann, Advanced Materials Interfaces (2022).
2022 | Journal Article | LibreCat-ID: 35707 |
The role of sulfonate groups and hydrogen bonding in the proton conductivity of two coordination networks
A. Javed, F. Steinke, S. Wöhlbrandt, H. Bunzen, N. Stock, M. Tiemann, Beilstein Journal of Nanotechnology 13 (2022) 437–443.
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| DOI
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A. Javed, F. Steinke, S. Wöhlbrandt, H. Bunzen, N. Stock, M. Tiemann, Beilstein Journal of Nanotechnology 13 (2022) 437–443.
2022 | Journal Article | LibreCat-ID: 33691
Challenges in the interpretation of gas core levels for the determination of gas-solid interactions within dielectric porous films by ambient pressure XPS
T. de los Arcos, C. Weinberger, F. Zysk, V. Raj Damerla, S. Kollmann, P. Vieth, M. Tiemann, T. Kühne, G. Grundmeier, Applied Surface Science 604 (2022).
LibreCat
| DOI
T. de los Arcos, C. Weinberger, F. Zysk, V. Raj Damerla, S. Kollmann, P. Vieth, M. Tiemann, T. Kühne, G. Grundmeier, Applied Surface Science 604 (2022).
2022 | Journal Article | LibreCat-ID: 33685 |
The Structure of Water in Silica Mesopores – Influence of the Pore Wall Polarity
C. Weinberger, F. Zysk, M. Hartmann, N. Kaliannan, W. Keil, T. Kühne, M. Tiemann, Advanced Materials Interfaces 9 (2022).
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| DOI
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C. Weinberger, F. Zysk, M. Hartmann, N. Kaliannan, W. Keil, T. Kühne, M. Tiemann, Advanced Materials Interfaces 9 (2022).
2022 | Journal Article | LibreCat-ID: 29376
Pyrolysis of sucrose-derived hydrochar
M. Wortmann, W. Keil, B. Brockhagen, J. Biedinger, M. Westphal, C. Weinberger, E. Diestelhorst, W. Hachmann, Y. Zhao, M. Tiemann, G. Reiss, B. Hüsgen, C. Schmidt, K. Sattler, N. Frese, Journal of Analytical and Applied Pyrolysis 161 (2022).
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| DOI
M. Wortmann, W. Keil, B. Brockhagen, J. Biedinger, M. Westphal, C. Weinberger, E. Diestelhorst, W. Hachmann, Y. Zhao, M. Tiemann, G. Reiss, B. Hüsgen, C. Schmidt, K. Sattler, N. Frese, Journal of Analytical and Applied Pyrolysis 161 (2022).
2022 | Journal Article | LibreCat-ID: 28254 |
Porous SiO2 coated dielectric metasurface with consistent performance independent of environmental conditions
R. Geromel, C. Weinberger, K. Brormann, M. Tiemann, T. Zentgraf, Optical Materials Express 12 (2022) 13–21.
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R. Geromel, C. Weinberger, K. Brormann, M. Tiemann, T. Zentgraf, Optical Materials Express 12 (2022) 13–21.
2022 | Journal Article | LibreCat-ID: 33965 |
Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory
A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.
LibreCat
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A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.
2022 | Journal Article | LibreCat-ID: 40154
FeMn with Phases of a Degradable Ag Alloy for Residue-Free and Adapted Bioresorbability
J.T. Krüger, K.-P. Hoyer, J. Huang, V. Filor, R.H. Mateus-Vargas, H. Oltmanns, J. Meißner, G. Grundmeier, M. Schaper, Journal of Functional Biomaterials 13 (2022) 185.
LibreCat
| DOI
J.T. Krüger, K.-P. Hoyer, J. Huang, V. Filor, R.H. Mateus-Vargas, H. Oltmanns, J. Meißner, G. Grundmeier, M. Schaper, Journal of Functional Biomaterials 13 (2022) 185.
2022 | Journal Article | LibreCat-ID: 34652
Enhancement of the delamination resistance of adhesive film coated surface laser melted aluminum 7075-T6 alloy by aminophosphonic acid adsorption
P. Vieth, M.-A. Garthe, D. Voswinkel, M. Schaper, G. Grundmeier, Surface and Coatings Technology 447 (2022).
LibreCat
| DOI
P. Vieth, M.-A. Garthe, D. Voswinkel, M. Schaper, G. Grundmeier, Surface and Coatings Technology 447 (2022).
2022 | Journal Article | LibreCat-ID: 30103
Influence of proteins on the corrosion of a conventional and selective laser beam melted FeMn alloy in physiological electrolytes
J. Huang, A.G. Orive, J.T. Krüger, K.-P. Hoyer, A. Keller, G. Grundmeier, Corrosion Science 200 (2022) 110186.
LibreCat
| DOI
J. Huang, A.G. Orive, J.T. Krüger, K.-P. Hoyer, A. Keller, G. Grundmeier, Corrosion Science 200 (2022) 110186.
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.
LibreCat
| DOI
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.
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.
LibreCat
G. Tonbul, J. Kappler, S. Murugan, R. Schoch, M. Nowakowski, P. Lange, M. Bauer, M.R. Buchmeiser, in: Edinburgh, 2022.
2022 | Journal Article | LibreCat-ID: 45007
Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid” Model and ab initio Molecular Dynamics Simulations
Y. Yang, J. Cheramy, M. Brehm, Y. Xu, ChemPhysChem 23 (11) (2022) e202200161.
LibreCat
| DOI
Y. Yang, J. Cheramy, M. Brehm, Y. Xu, ChemPhysChem 23 (11) (2022) e202200161.
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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| DOI
R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam, JACS Au 2 (12) (2022) 2693–2702.
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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| DOI
S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, B. Kirchner, J. Phys. Chem. A 126 (40) (2022) 7070–7083.
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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| DOI
T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner, J. Chem. Inf. Model. 62 (22) (2022) 5634–5644.
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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| DOI
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.
2022 | Preprint | LibreCat-ID: 32404
CP2K on the road to exascale
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
LibreCat
| Download (ext.)
| arXiv
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
2022 | Journal Article | LibreCat-ID: 33684 |
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.)
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).
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).
LibreCat
| DOI
K. Bobzin, C. Kalscheuer, G. Grundmeier, S. Kollmann, M. Carlet, M.T. de los Arcos de Pedro, Surface and Coatings Technology 449 (2022).