Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
1252 Publications
2021 | Journal Article | LibreCat-ID: 22926
Strain-Dependent Adsorption of Pseudomonas aeruginosa-Derived Adhesin-like Peptides at Abiotic Surfaces
Y. Yang, S. Schwiderek, G. Grundmeier, A. Keller, Micro 1 (2021) 129–139.
LibreCat
| DOI
Y. Yang, S. Schwiderek, G. Grundmeier, A. Keller, Micro 1 (2021) 129–139.
2021 | Journal Article | LibreCat-ID: 23023
Magnesium-Free Immobilization of DNA Origami Nanostructures at Mica Surfaces for Atomic Force Microscopy
Y. Xin, A.A. Zargariantabrizi, G. Grundmeier, A. Keller, Molecules 26 (2021) 4798.
LibreCat
| DOI
Y. Xin, A.A. Zargariantabrizi, G. Grundmeier, A. Keller, Molecules 26 (2021) 4798.
2021 | Conference Paper | LibreCat-ID: 21717
Entwicklung einer Methode zur Bewertung einer stahlintensiven Mischbau-Klebverbindung eines Batteriegehäuses gegenüber mechanischer und medialer Belastung und Berücksichtigung der Interphasenstruktur
T. Schmolke, D. Teutenberg, G. Meschut, D. Meinderink, L. Koch, C. Ebbert, G. Grundmeier, in: DECHEMA, Gesellschaft für Chemische Technik und Biotechnologie e.V. (Ed.), 2021.
LibreCat
T. Schmolke, D. Teutenberg, G. Meschut, D. Meinderink, L. Koch, C. Ebbert, G. Grundmeier, in: DECHEMA, Gesellschaft für Chemische Technik und Biotechnologie e.V. (Ed.), 2021.
2021 | Journal Article | LibreCat-ID: 22220
Interfacial Covalent Bonds Regulated Electron-Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions
X. Wang, R. Kormath Madam Raghupathy, C.J. Querebillo, Z. Liao, D. Li, K. Lin, M. Hantusch, Z. Sofer, B. Li, E. Zschech, I.M. Weidinger, T. Kühne, H. Mirhosseini, M. Yu, X. Feng, Advanced Materials 33 (2021) 2008752.
LibreCat
| DOI
X. Wang, R. Kormath Madam Raghupathy, C.J. Querebillo, Z. Liao, D. Li, K. Lin, M. Hantusch, Z. Sofer, B. Li, E. Zschech, I.M. Weidinger, T. Kühne, H. Mirhosseini, M. Yu, X. Feng, Advanced Materials 33 (2021) 2008752.
2021 | Journal Article | LibreCat-ID: 29700
Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a C3N5 study
A. Ghasemi, H. Mirhosseini, T. Kühne, Phys. Chem. Chem. Phys. 23 (2021) 6422–6432.
LibreCat
| DOI
A. Ghasemi, H. Mirhosseini, T. Kühne, Phys. Chem. Chem. Phys. 23 (2021) 6422–6432.
2021 | Journal Article | LibreCat-ID: 23701
Light-responsive polymeric nanoparticles based on a novel nitropiperonal based polyester as drug delivery systems for photosensitizers in PDT
T. Schoppa, D. Jung, T. Rust, D. Mulac, D. Kuckling, K. Langer, International Journal of Pharmaceutics 597 (2021).
LibreCat
| DOI
T. Schoppa, D. Jung, T. Rust, D. Mulac, D. Kuckling, K. Langer, International Journal of Pharmaceutics 597 (2021).
2021 | Journal Article | LibreCat-ID: 23662
Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery
T. Rust, D. Jung, A. Hoppe, T. Schoppa, K. Langer, D. Kuckling, ACS Applied Polymer Materials 3 (2021) 3831–3842.
LibreCat
| DOI
T. Rust, D. Jung, A. Hoppe, T. Schoppa, K. Langer, D. Kuckling, ACS Applied Polymer Materials 3 (2021) 3831–3842.
2021 | Journal Article | LibreCat-ID: 23699
Direct Asymmetric Aldol Reaction in Continuous Flow Using Gel‐Bound Organocatalysts
C.J. Schmiegel, R. Baier, D. Kuckling, European Journal of Organic Chemistry (2021) 2578–2586.
LibreCat
| DOI
C.J. Schmiegel, R. Baier, D. Kuckling, European Journal of Organic Chemistry (2021) 2578–2586.
2021 | Journal Article | LibreCat-ID: 31022
Altering of lower critical solution temperature of environmentally responsive poly (N-isopropylacrylamide-co-acrylic acid-co-vanillin acrylate) affected by acrylic acid, vanillin acrylate, and post-polymerization modification
M.S.A. Abdelaty, D. Kuckling, Colloid and Polymer Science 299 (2021) 1617–1629.
LibreCat
| DOI
M.S.A. Abdelaty, D. Kuckling, Colloid and Polymer Science 299 (2021) 1617–1629.
2021 | Journal Article | LibreCat-ID: 31019
Coupling of CO2 and epoxides catalysed by novel N-fused mesoionic carbene complexes of nickel(ii)
F.A. Watt, B. Sieland, N. Dickmann, R. Schoch, R. Herbst-Irmer, H. Ott, J. Paradies, D. Kuckling, S. Hohloch, Dalton Transactions 50 (2021) 17361–17371.
LibreCat
| DOI
F.A. Watt, B. Sieland, N. Dickmann, R. Schoch, R. Herbst-Irmer, H. Ott, J. Paradies, D. Kuckling, S. Hohloch, Dalton Transactions 50 (2021) 17361–17371.
2021 | Journal Article | LibreCat-ID: 23702
Continuous Flow Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzenes with Gel‐Bound Catalysts
C.J. Schmiegel, P. Berg, F. Obst, R. Schoch, D. Appelhans, D. Kuckling, European Journal of Organic Chemistry (2021) 1628–1636.
LibreCat
| DOI
C.J. Schmiegel, P. Berg, F. Obst, R. Schoch, D. Appelhans, D. Kuckling, European Journal of Organic Chemistry (2021) 1628–1636.
2021 | Journal Article | LibreCat-ID: 23696
Backbone vs. side-chain: two light-degradable polyurethanes based on 6-nitropiperonal
D. Jung, T. Rust, K. Völlmecke, T. Schoppa, K. Langer, D. Kuckling, Polymer Chemistry 12 (2021) 4565–4575.
LibreCat
| DOI
D. Jung, T. Rust, K. Völlmecke, T. Schoppa, K. Langer, D. Kuckling, Polymer Chemistry 12 (2021) 4565–4575.
2021 | Journal Article | LibreCat-ID: 23698
Dually cross-linked single networks: structures and applications
M. Rodin, J. Li, D. Kuckling, Chemical Society Reviews 50 (2021) 8147–8177.
LibreCat
| DOI
M. Rodin, J. Li, D. Kuckling, Chemical Society Reviews 50 (2021) 8147–8177.
2021 | Journal Article | LibreCat-ID: 33653
Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids
A. Gurinov, B. Sieland, A. Kuzhelev, H. Elgabarty, T. Kühne, T. Prisner, J. Paradies, M. Baldus, K.L. Ivanov, S. Pylaeva, Angewandte Chemie International Edition 60 (2021) 15371–15375.
LibreCat
| DOI
A. Gurinov, B. Sieland, A. Kuzhelev, H. Elgabarty, T. Kühne, T. Prisner, J. Paradies, M. Baldus, K.L. Ivanov, S. Pylaeva, Angewandte Chemie International Edition 60 (2021) 15371–15375.
2021 | Journal Article | LibreCat-ID: 34647
Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions
T. Brögelmann, K. Bobzin, G. Grundmeier, T. de los Arcos, N.C. Kruppe, S. Schwiderek, M. Carlet, Journal of Physics D: Applied Physics 55 (2021).
LibreCat
| DOI
T. Brögelmann, K. Bobzin, G. Grundmeier, T. de los Arcos, N.C. Kruppe, S. Schwiderek, M. Carlet, Journal of Physics D: Applied Physics 55 (2021).
2021 | Journal Article | LibreCat-ID: 34645
Atomic Layer Deposition of Copper Metal Films from Cu(acac) 2 and Hydroquinone Reductant
T.S. Tripathi, M. Wilken, C. Hoppe, T. de los Arcos, G. Grundmeier, A. Devi, M. Karppinen, Advanced Engineering Materials 23 (2021).
LibreCat
| DOI
T.S. Tripathi, M. Wilken, C. Hoppe, T. de los Arcos, G. Grundmeier, A. Devi, M. Karppinen, Advanced Engineering Materials 23 (2021).
2021 | Journal Article | LibreCat-ID: 29699
Artificial neural networks for the kinetic energy functional of non-interacting fermions
S.A. Ghasemi, T.D. Kühne, The Journal of Chemical Physics 154 (2021) 074107.
LibreCat
| DOI
S.A. Ghasemi, T.D. Kühne, The Journal of Chemical Physics 154 (2021) 074107.
2021 | Conference Paper | LibreCat-ID: 23758 | 
Augmented Reality als Experimentierhilfe bei Beobachtung und Deutung
H. Peeters, S. Habig, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 613–616.
LibreCat
| Download (ext.)
H. Peeters, S. Habig, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 613–616.
2021 | Journal Article | LibreCat-ID: 33587
On topological materials as photocatalysts for water splitting by visible light
A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5 (2021).
LibreCat
| DOI
A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5 (2021).
2021 | Journal Article | LibreCat-ID: 33643
When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C2N materials
J.J. Heske, R. Walczak, J.D. Epping, S. Youk, S.K. Sahoo, M. Antonietti, T. Kühne, M. Oschatz, Journal of Materials Chemistry A 9 (2021) 22563–22572.
LibreCat
| DOI
J.J. Heske, R. Walczak, J.D. Epping, S. Youk, S.K. Sahoo, M. Antonietti, T. Kühne, M. Oschatz, Journal of Materials Chemistry A 9 (2021) 22563–22572.
2021 | Journal Article | LibreCat-ID: 33645
Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy
D. Ojha, T. Kühne, Scientific Reports 11 (2021).
LibreCat
| DOI
D. Ojha, T. Kühne, Scientific Reports 11 (2021).
2021 | Journal Article | LibreCat-ID: 33644
Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids
S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal of Physical Chemistry A 125 (2021) 867–874.
LibreCat
| DOI
S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal of Physical Chemistry A 125 (2021) 867–874.
2021 | Journal Article | LibreCat-ID: 33649
Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).
LibreCat
| DOI
J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).
2021 | Journal Article | LibreCat-ID: 33648
Artificial neural networks for the kinetic energy functional of non-interacting fermions
A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
LibreCat
| DOI
A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
2021 | Journal Article | LibreCat-ID: 33655
A combinatorial study of electrochemical anion intercalation into graphite
M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials Research Express 8 (2021).
LibreCat
| DOI
M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials Research Express 8 (2021).
2021 | Journal Article | LibreCat-ID: 33658
Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase
P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).
LibreCat
| DOI
P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).
2021 | Journal Article | LibreCat-ID: 33651
Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials
S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A. Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
LibreCat
| DOI
S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A. Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
2021 | Journal Article | LibreCat-ID: 33657
An automated approach for developing neural network interatomic potentials with FLAME
H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).
LibreCat
| DOI
H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).
2021 | Conference Paper | LibreCat-ID: 33654
Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields
V. Balos, H. Elgabarty, M. Wolf, T. Kühne, R. Netz, D.J. Bonthuis, N. Kaliannan, P. Loche, T. Kampfrath, M. Sajadi, in: M. Razeghi, A.N. Baranov (Eds.), Terahertz Emitters, Receivers, and Applications XII, SPIE, 2021.
LibreCat
| DOI
V. Balos, H. Elgabarty, M. Wolf, T. Kühne, R. Netz, D.J. Bonthuis, N. Kaliannan, P. Loche, T. Kampfrath, M. Sajadi, in: M. Razeghi, A.N. Baranov (Eds.), Terahertz Emitters, Receivers, and Applications XII, SPIE, 2021.
2021 | Journal Article | LibreCat-ID: 33656
A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states
M. Wang, A. Ranjbar, T. Kühne, R.V. Belosludov, Y. Kawazoe, Y. Liang, Carbon 181 (2021) 370–378.
LibreCat
| DOI
M. Wang, A. Ranjbar, T. Kühne, R.V. Belosludov, Y. Kawazoe, Y. Liang, Carbon 181 (2021) 370–378.
2021 | Journal Article | LibreCat-ID: 33659
On topological materials as photocatalysts for water splitting by visible light
A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).
LibreCat
| DOI
A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).
2021 | Journal Article | LibreCat-ID: 33681
Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst
M.A.R. da Silva, I.F. Silva, Q. Xue, B.T.W. Lo, N.V. Tarakina, B.N. Nunes, P. Adler, S.K. Sahoo, D.W. Bahnemann, N. López-Salas, A. Savateev, C. Ribeiro, T. Kühne, M. Antonietti, I.F. Teixeira, Applied Catalysis B: Environmental 304 (2021).
LibreCat
| DOI
M.A.R. da Silva, I.F. Silva, Q. Xue, B.T.W. Lo, N.V. Tarakina, B.N. Nunes, P. Adler, S.K. Sahoo, D.W. Bahnemann, N. López-Salas, A. Savateev, C. Ribeiro, T. Kühne, M. Antonietti, I.F. Teixeira, Applied Catalysis B: Environmental 304 (2021).
2021 | Journal Article | LibreCat-ID: 33675
Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum
L. Mai, D. Maniar, F. Zysk, J. Schöbel, T. Kühne, K. Loos, A. Devi, Dalton Transactions 51 (2021) 1384–1394.
LibreCat
| DOI
L. Mai, D. Maniar, F. Zysk, J. Schöbel, T. Kühne, K. Loos, A. Devi, Dalton Transactions 51 (2021) 1384–1394.
2021 | Journal Article | LibreCat-ID: 35327
Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer
M. Wortmann, K. Viertel, A. Welle, W. Keil, N. Frese, W. Hachmann, P. Krieger, J. Brikmann, C. Schmidt, E. Moritzer, B. Hüsgen, International Journal of Heat and Mass Transfer 177 (2021).
LibreCat
| DOI
M. Wortmann, K. Viertel, A. Welle, W. Keil, N. Frese, W. Hachmann, P. Krieger, J. Brikmann, C. Schmidt, E. Moritzer, B. Hüsgen, International Journal of Heat and Mass Transfer 177 (2021).
2021 | Journal Article | LibreCat-ID: 29189
Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien
T. Rogge, C. Vogelsang, P. Pollmeier, Seminar 4 (2021) 91–105.
LibreCat
| Download (ext.)
T. Rogge, C. Vogelsang, P. Pollmeier, Seminar 4 (2021) 91–105.
2021 | Book Chapter | LibreCat-ID: 27071
Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten
P. Pollmeier, S. Fechner, in: C. Caruso, C. Harteis, A. Gröschner (Eds.), Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, Springer Fachmedien, Wiesbaden, 2021.
LibreCat
| DOI
P. Pollmeier, S. Fechner, in: C. Caruso, C. Harteis, A. Gröschner (Eds.), Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, Springer Fachmedien, Wiesbaden, 2021.
2021 | Book Chapter | LibreCat-ID: 23733
Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht
P. Pollmeier, S. Fechner, in: M. Kubsch, S. Sorge, J. Arnold, N. Graulich (Eds.), Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, Waxmann, 2021, pp. 150–154.
LibreCat
| DOI
P. Pollmeier, S. Fechner, in: M. Kubsch, S. Sorge, J. Arnold, N. Graulich (Eds.), Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, Waxmann, 2021, pp. 150–154.
2021 | Journal Article | LibreCat-ID: 22538
Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films
M.T. de los Arcos de Pedro, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C. Weinberger, M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021).
LibreCat
| DOI
M.T. de los Arcos de Pedro, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C. Weinberger, M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021).
2021 | Journal Article | LibreCat-ID: 22539
Design of a TiAlON multilayer coating: Oxidation stability and deformation behavior
K. Bobzin, C. Kalscheuer, G. Grundmeier, M.T. de los Arcos de Pedro, S. Schwiderek, M. Carlet, Surface and Coatings Technology (2021).
LibreCat
| DOI
K. Bobzin, C. Kalscheuer, G. Grundmeier, M.T. de los Arcos de Pedro, S. Schwiderek, M. Carlet, Surface and Coatings Technology (2021).
2021 | Journal Article | LibreCat-ID: 22535
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. de los Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy (2021) 1237–1245.
LibreCat
| DOI
S. Knust, L. Ruhm, A. Kuhlmann, D. Meinderink, J. Bürger, J.K.N. Lindner, M.T. de los Arcos de Pedro, G. Grundmeier, Journal of Raman Spectroscopy (2021) 1237–1245.
2021 | Journal Article | LibreCat-ID: 37946
Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones
T. Werner, A. Grandane, L. Pudnika, I. Domraceva, R. Zalubovskis, Synthesis 53 (2021) 3545–3554.
LibreCat
| DOI
T. Werner, A. Grandane, L. Pudnika, I. Domraceva, R. Zalubovskis, Synthesis 53 (2021) 3545–3554.
2021 | Journal Article | LibreCat-ID: 37947
Organische Chemie
J. Paradies, J. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, R. Ganardi, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle‐Goll, J. Niemeyer, R. Pfau, J. Pietruszka, J.L. Röckl, N. Schaschke, M.O. Senge, B.F. Straub, S.R. Waldvogel, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 69 (2021) 38–68.
LibreCat
| DOI
J. Paradies, J. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, R. Ganardi, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle‐Goll, J. Niemeyer, R. Pfau, J. Pietruszka, J.L. Röckl, N. Schaschke, M.O. Senge, B.F. Straub, S.R. Waldvogel, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 69 (2021) 38–68.
2021 | Journal Article | LibreCat-ID: 37944
Indirect reduction of CO2 and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes
X. Liu, T. Werner, Chemical Science 12 (2021) 10590–10597.
LibreCat
| DOI
X. Liu, T. Werner, Chemical Science 12 (2021) 10590–10597.
2021 | Journal Article | LibreCat-ID: 37945
Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction
J. Tönjes, L. Longwitz, T. Werner, Green Chemistry 23 (2021) 4852–4857.
LibreCat
| DOI
J. Tönjes, L. Longwitz, T. Werner, Green Chemistry 23 (2021) 4852–4857.
2021 | Journal Article | LibreCat-ID: 37943
AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate
M.A. Wirth, L. Longwitz, M. Kanwischer, P. Gros, P. Leinweber, T. Werner, Ecotoxicology and Environmental Safety 225 (2021).
LibreCat
| DOI
M.A. Wirth, L. Longwitz, M. Kanwischer, P. Gros, P. Leinweber, T. Werner, Ecotoxicology and Environmental Safety 225 (2021).
2021 | Dissertation | LibreCat-ID: 41006
Iron oxide catalysts for CO oxidation : from basic structure-activity-correlation to an advanced preparation strategy for highly active catalysts
S. Schlicher, Iron Oxide Catalysts for CO Oxidation : From Basic Structure-Activity-Correlation to an Advanced Preparation Strategy for Highly Active Catalysts, 2021.
LibreCat
| DOI
S. Schlicher, Iron Oxide Catalysts for CO Oxidation : From Basic Structure-Activity-Correlation to an Advanced Preparation Strategy for Highly Active Catalysts, 2021.
2021 | Journal Article | LibreCat-ID: 41002
Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation
H.-H. Nguyen, Z. Li, T. Enenkel, J. Hildebrand, M. Bauer, M. Dyballa, D.P. Estes, The Journal of Physical Chemistry C 125 (2021) 14627–14635.
LibreCat
| DOI
H.-H. Nguyen, Z. Li, T. Enenkel, J. Hildebrand, M. Bauer, M. Dyballa, D.P. Estes, The Journal of Physical Chemistry C 125 (2021) 14627–14635.
2021 | Journal Article | LibreCat-ID: 40998
Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity
S.T. Emmerling, F. Ziegler, F.R. Fischer, R. Schoch, M. Bauer, B. Plietker, M.R. Buchmeiser, B.V. Lotsch, Chemistry – A European Journal 28 (2021).
LibreCat
| DOI
S.T. Emmerling, F. Ziegler, F.R. Fischer, R. Schoch, M. Bauer, B. Plietker, M.R. Buchmeiser, B.V. Lotsch, Chemistry – A European Journal 28 (2021).
2021 | Journal Article | LibreCat-ID: 41003
Higher MLCT lifetime of carbene iron(ii) complexes by chelate ring expansion
T. Reuter, A. Kruse, R. Schoch, S. Lochbrunner, M. Bauer, K. Heinze, Chemical Communications 57 (2021) 7541–7544.
LibreCat
| DOI
T. Reuter, A. Kruse, R. Schoch, S. Lochbrunner, M. Bauer, K. Heinze, Chemical Communications 57 (2021) 7541–7544.
2021 | Journal Article | LibreCat-ID: 40997
Photoactive iron complexes: more sustainable, but still a challenge
P. Dierks, Y. Vukadinovic, M. Bauer, Inorganic Chemistry Frontiers 9 (2021) 206–220.
LibreCat
| DOI
P. Dierks, Y. Vukadinovic, M. Bauer, Inorganic Chemistry Frontiers 9 (2021) 206–220.
2021 | Journal Article | LibreCat-ID: 41000
Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis
P. Ghosh, R. Schoch, M. Bauer, A. Jacobi von Wangelin, Angewandte Chemie International Edition 61 (2021).
LibreCat
| DOI
P. Ghosh, R. Schoch, M. Bauer, A. Jacobi von Wangelin, Angewandte Chemie International Edition 61 (2021).
2021 | Journal Article | LibreCat-ID: 41013
Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion Batteries
K. Wissel, R. Schoch, T. Vogel, M. Donzelli, G. Matveeva, U. Kolb, M. Bauer, P.R. Slater, O. Clemens, Chemistry of Materials 33 (2021) 499–512.
LibreCat
| DOI
K. Wissel, R. Schoch, T. Vogel, M. Donzelli, G. Matveeva, U. Kolb, M. Bauer, P.R. Slater, O. Clemens, Chemistry of Materials 33 (2021) 499–512.
2021 | Journal Article | LibreCat-ID: 41010
η 3 ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**
F.A. Watt, L. Burkhardt, R. Schoch, S. Mitzinger, M. Bauer, F. Weigend, J.M. Goicoechea, F. Tambornino, S. Hohloch, Angewandte Chemie International Edition 60 (2021) 9534–9539.
LibreCat
| DOI
F.A. Watt, L. Burkhardt, R. Schoch, S. Mitzinger, M. Bauer, F. Weigend, J.M. Goicoechea, F. Tambornino, S. Hohloch, Angewandte Chemie International Edition 60 (2021) 9534–9539.
2021 | Journal Article | LibreCat-ID: 41012
Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0
M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A.M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M.R. Ringenberg, J. van Slageren, Inorganic Chemistry 60 (2021) 2856–2865.
LibreCat
| DOI
M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A.M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M.R. Ringenberg, J. van Slageren, Inorganic Chemistry 60 (2021) 2856–2865.
2021 | Journal Article | LibreCat-ID: 41011
Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights into Structures and Building Principles
U. Chakraborty, P. Bügel, L. Fritsch, F. Weigend, M. Bauer, A. Jacobi von Wangelin, ChemistryOpen 10 (2021) 265–271.
LibreCat
| DOI
U. Chakraborty, P. Bügel, L. Fritsch, F. Weigend, M. Bauer, A. Jacobi von Wangelin, ChemistryOpen 10 (2021) 265–271.
2021 | Journal Article | LibreCat-ID: 35326
Thermostable water reservoirs in the interlayer space of a sodium hectorite clay through the intercalation of γ-aminopropyl(dimethyl)ethoxysilane in toluene
W. Keil, K. Zhao, A. Oswald, W. Bremser, C. Schmidt, H. Hintze-Bruening, Physical Chemistry Chemical Physics 24 (2021) 477–487.
LibreCat
| DOI
W. Keil, K. Zhao, A. Oswald, W. Bremser, C. Schmidt, H. Hintze-Bruening, Physical Chemistry Chemical Physics 24 (2021) 477–487.
2021 | Journal Article | LibreCat-ID: 41817
Mechanism and equilibrium thermodynamics of H- and J-aggregate formation from pseudo isocyanine chloride in water
B. Hämisch, K. Huber, Soft Matter 17 (2021) 8140–8152.
LibreCat
| DOI
B. Hämisch, K. Huber, Soft Matter 17 (2021) 8140–8152.
2021 | Journal Article | LibreCat-ID: 41818
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.
LibreCat
| DOI
D. Hense, A. Büngeler, F. Kollmann, M. Hanke, A. Orive, A. Keller, G. Grundmeier, K. Huber, O.I. Strube, Biomacromolecules 22 (2021) 4084–4094.
2021 | Journal Article | LibreCat-ID: 41816
Multiresponsive Polymer Nanoparticles Based on Disulfide Bonds
M. Wagner, A. Krieger, M. Minameyer, B. Hämisch, K. Huber, T. Drewello, F. Gröhn, Macromolecules 54 (2021) 2899–2911.
LibreCat
| DOI
M. Wagner, A. Krieger, M. Minameyer, B. Hämisch, K. Huber, T. Drewello, F. Gröhn, Macromolecules 54 (2021) 2899–2911.
2021 | Journal Article | LibreCat-ID: 41815
Thermodynamic Analysis of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of Crowding Agents
B. Hämisch, R. Pollak, S. Ebbinghaus, K. Huber, ChemSystemsChem 3 (2021).
LibreCat
| DOI
B. Hämisch, R. Pollak, S. Ebbinghaus, K. Huber, ChemSystemsChem 3 (2021).
2021 | Journal Article | LibreCat-ID: 25894
Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns
B. Schwind, J.-H. Smått, M. Tiemann, C. Weinberger, Microporous and Mesoporous Materials (2021).
LibreCat
| DOI
B. Schwind, J.-H. Smått, M. Tiemann, C. Weinberger, Microporous and Mesoporous Materials (2021).
2021 | Journal Article | LibreCat-ID: 25897
Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films
T. de los Arcos, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C. Weinberger, M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021).
LibreCat
| DOI
T. de los Arcos, H. Müller, F. Wang, V.R. Damerla, C. Hoppe, C. Weinberger, M. Tiemann, G. Grundmeier, Vibrational Spectroscopy (2021).
2021 | Journal Article | LibreCat-ID: 25893 |
Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials
M. Tiemann, C. Weinberger, Advanced Materials Interfaces (2021).
LibreCat
| DOI
| Download (ext.)
M. Tiemann, C. Weinberger, Advanced Materials Interfaces (2021).
2021 | Journal Article | LibreCat-ID: 25896
Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques
R. Tischendorf, M. Simmler, C. Weinberger, M. Bieber, M. Reddemann, F. Fröde, J. Lindner, H. Pitsch, R. Kneer, M. Tiemann, H. Nirschl, H.-J. Schmid, Journal of Aerosol Science (2021).
LibreCat
| DOI
R. Tischendorf, M. Simmler, C. Weinberger, M. Bieber, M. Reddemann, F. Fröde, J. Lindner, H. Pitsch, R. Kneer, M. Tiemann, H. Nirschl, H.-J. Schmid, Journal of Aerosol Science (2021).
2021 | Journal Article | LibreCat-ID: 22635
TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia cells from peripheral blood
J.A. Garcia Diosa, A. Gonzalez Orive, C. Weinberger, S. Schwiderek, S. Knust, M. Tiemann, G. Grundmeier, A. Keller, R.J. Camargo Amado, Journal of Biomedical Materials Research Part B: Applied Biomaterials 109 (2021) 2142–2153.
LibreCat
| DOI
J.A. Garcia Diosa, A. Gonzalez Orive, C. Weinberger, S. Schwiderek, S. Knust, M. Tiemann, G. Grundmeier, A. Keller, R.J. Camargo Amado, Journal of Biomedical Materials Research Part B: Applied Biomaterials 109 (2021) 2142–2153.
2021 | Journal Article | LibreCat-ID: 25892
New isoreticular phosphonate MOFs based on a tetratopic linker
F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, N. Stock, Dalton Transactions (2021) 13572–13579.
LibreCat
| DOI
F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, N. Stock, Dalton Transactions (2021) 13572–13579.
2021 | Journal Article | LibreCat-ID: 39653
Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters
C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, S. Schumacher, Scientific Reports 11 (2021).
LibreCat
| DOI
C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, S. Schumacher, Scientific Reports 11 (2021).
2021 | Journal Article | LibreCat-ID: 45001
A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures
E. Roos, M. Brehm, Phys. Chem. Chem. Phys. 23 (2021) 1242–1253.
LibreCat
| DOI
E. Roos, M. Brehm, Phys. Chem. Chem. Phys. 23 (2021) 1242–1253.
2021 | Journal Article | LibreCat-ID: 45004
Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations
M. Brehm, M. Thomas, Molecules 26 (7) (2021) 1875.
LibreCat
| DOI
M. Brehm, M. Thomas, Molecules 26 (7) (2021) 1875.
2021 | Journal Article | LibreCat-ID: 45005
Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics
S. Roy, M. Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L. Gallington, S. Mahurin, S. Dai, A. Ivanov, C. Margulis, V. Bryantsev, J. Phys. Chem. B 125 (22) (2021) 5971–5982.
LibreCat
| DOI
S. Roy, M. Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L. Gallington, S. Mahurin, S. Dai, A. Ivanov, C. Margulis, V. Bryantsev, J. Phys. Chem. B 125 (22) (2021) 5971–5982.
2021 | Journal Article | LibreCat-ID: 45006
Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent
A. Triolo, M.E.D. Pietro, A. Mele, F.L. Celso, M. Brehm, V.D. Lisio, A. Martinelli, P. Chater, O. Russina, J. Chem. Phys. 154 (2021) 244501.
LibreCat
| DOI
A. Triolo, M.E.D. Pietro, A. Mele, F.L. Celso, M. Brehm, V.D. Lisio, A. Martinelli, P. Chater, O. Russina, J. Chem. Phys. 154 (2021) 244501.
2021 | Journal Article | LibreCat-ID: 45003
Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate
M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E.T.J. Nibbering, J. Phys. Chem. A 125 (9) (2021) 1845–1859.
LibreCat
| DOI
M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E.T.J. Nibbering, J. Phys. Chem. A 125 (9) (2021) 1845–1859.
2021 | Journal Article | LibreCat-ID: 45000
Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study
M. Mukherjee, D. Tripathi, M. Brehm, C. Riplinger, A.K. Dutta, J. Chem. Theory Comput. 17 (1) (2021) 105–116.
LibreCat
| DOI
M. Mukherjee, D. Tripathi, M. Brehm, C. Riplinger, A.K. Dutta, J. Chem. Theory Comput. 17 (1) (2021) 105–116.
2021 | Journal Article | LibreCat-ID: 45002
Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization
A. Triolo, F.L. Celso, M. Brehm, V.D. Lisio, O. Russina, J. Mol. Liq. 331 (2021) 115750.
LibreCat
| DOI
A. Triolo, F.L. Celso, M. Brehm, V.D. Lisio, O. Russina, J. Mol. Liq. 331 (2021) 115750.
2021 | Journal Article | LibreCat-ID: 24566 |
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.
LibreCat
| DOI
| Download (ext.)
K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, W. Bremser, ChemElectroChem (2021) 2155–2168.
2021 | Conference Paper | LibreCat-ID: 33545
Unterstützung des Modellierungsprozesses durch Analogiebildung im Sachunterricht
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 609–612.
LibreCat
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 609–612.
2021 | Journal Article | LibreCat-ID: 41007
Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes
P. Dierks, A. Kruse, O.S. Bokareva, M.J. Al-Marri, J. Kalmbach, M. Baltrun, A. Neuba, R. Schoch, S. Hohloch, K. Heinze, M. Seitz, O. Kühn, S. Lochbrunner, M. Bauer, Chemical Communications 57 (2021) 6640–6643.
LibreCat
| DOI
P. Dierks, A. Kruse, O.S. Bokareva, M.J. Al-Marri, J. Kalmbach, M. Baltrun, A. Neuba, R. Schoch, S. Hohloch, K. Heinze, M. Seitz, O. Kühn, S. Lochbrunner, M. Bauer, Chemical Communications 57 (2021) 6640–6643.
2021 | Book Chapter | LibreCat-ID: 29936
Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing
A. Ramaswami, T. Kenter, T. Kühne, C. Plessl, in: Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, Cham, 2021.
LibreCat
| DOI
A. Ramaswami, T. Kenter, T. Kühne, C. Plessl, in: Applied Reconfigurable Computing. Architectures, Tools, and Applications, Springer International Publishing, Cham, 2021.
2021 | Journal Article | LibreCat-ID: 41001
Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes
F. Ziegler, H. Kraus, M.J. Benedikter, D. Wang, J.R. Bruckner, M. Nowakowski, K. Weißer, H. Solodenko, G. Schmitz, M. Bauer, N. Hansen, M.R. Buchmeiser, ACS Catalysis 11 (2021) 11570–11578.
LibreCat
| DOI
F. Ziegler, H. Kraus, M.J. Benedikter, D. Wang, J.R. Bruckner, M. Nowakowski, K. Weißer, H. Solodenko, G. Schmitz, M. Bauer, N. Hansen, M.R. Buchmeiser, ACS Catalysis 11 (2021) 11570–11578.
2021 | Journal Article | LibreCat-ID: 40999
Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity in the Hydrosilylation of Alkynes
P.K.R. Panyam, B. Atwi, F. Ziegler, W. Frey, M. Nowakowski, M. Bauer, M.R. Buchmeiser, Chemistry – A European Journal 27 (2021) 17220–17229.
LibreCat
| DOI
P.K.R. Panyam, B. Atwi, F. Ziegler, W. Frey, M. Nowakowski, M. Bauer, M.R. Buchmeiser, Chemistry – A European Journal 27 (2021) 17220–17229.
2021 | Journal Article | LibreCat-ID: 41009
Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations
S. Maier, S.P. Cronin, M.-A. Vu Dinh, Z. Li, M. Dyballa, M. Nowakowski, M. Bauer, D.P. Estes, Organometallics 40 (2021) 1751–1757.
LibreCat
| DOI
S. Maier, S.P. Cronin, M.-A. Vu Dinh, Z. Li, M. Dyballa, M. Nowakowski, M. Bauer, D.P. Estes, Organometallics 40 (2021) 1751–1757.
2021 | Journal Article | LibreCat-ID: 30216
Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad
M. Huber-Gedert, M. Nowakowski, A. Kertmen, L. Burkhardt, N. Lindner, R. Schoch, R. Herbst‐Irmer, A. Neuba, L. Schmitz, T. Choi, J. Kubicki, W. Gawelda, M. Bauer, Chemistry – A European Journal 27 (2021) 9905–9918.
LibreCat
| DOI
M. Huber-Gedert, M. Nowakowski, A. Kertmen, L. Burkhardt, N. Lindner, R. Schoch, R. Herbst‐Irmer, A. Neuba, L. Schmitz, T. Choi, J. Kubicki, W. Gawelda, M. Bauer, Chemistry – A European Journal 27 (2021) 9905–9918.
2020 | Journal Article | LibreCat-ID: 25301
Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations
B. Scherer, I.L. Kottenstedde, W. Bremser, F.-M. Matysik, Polymer Testing (2020).
LibreCat
| DOI
B. Scherer, I.L. Kottenstedde, W. Bremser, F.-M. Matysik, Polymer Testing (2020).
2020 | Journal Article | LibreCat-ID: 19679
“On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface
D. Ojha, T.D. Kühne, Molecules 25 (2020).
LibreCat
| DOI
D. Ojha, T.D. Kühne, Molecules 25 (2020).
2020 | Journal Article | LibreCat-ID: 19680
Disordered crystals from first principles II: Transport coefficients
T. Kühne, J.J. Heske, E. Prodan, Annals of Physics 421 (2020) 168290.
LibreCat
| DOI
T. Kühne, J.J. Heske, E. Prodan, Annals of Physics 421 (2020) 168290.
2020 | Journal Article | LibreCat-ID: 19681
Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis
M.A. Salem, T.D. Kühne, Molecular Physics (2020) 1–6.
LibreCat
| DOI
M.A. Salem, T.D. Kühne, Molecular Physics (2020) 1–6.
2020 | Journal Article | LibreCat-ID: 19823
Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films
A. Elizabeth, H. Conradi, S. K. Sahoo, T. Kodalle, C. A. Kaufmann, T. Kühne, H. Mirhosseini, D. Abou-Ras, H. Mönig, Acta Materialia 200 (2020).
LibreCat
| DOI
A. Elizabeth, H. Conradi, S. K. Sahoo, T. Kodalle, C. A. Kaufmann, T. Kühne, H. Mirhosseini, D. Abou-Ras, H. Mönig, Acta Materialia 200 (2020).
2020 | Journal Article | LibreCat-ID: 21239
Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon
S.K. Sahoo, J.J. Heske, M. Antonietti, Q. Qin, M. Oschatz, T. Kühne, ACS Applied Energy Materials 3 (2020) 10061–10069.
LibreCat
| DOI
S.K. Sahoo, J.J. Heske, M. Antonietti, Q. Qin, M. Oschatz, T. Kühne, ACS Applied Energy Materials 3 (2020) 10061–10069.
2020 | Journal Article | LibreCat-ID: 17375
Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study
J. Zhou, M. Khazaei, A. Ranjbar, V. Wang, T.D. Kühne, K. Ohno, Y. Kawazoe, Y. Liang, J. Mater. Chem. C 8 (2020) 5211–5221.
LibreCat
| DOI
J. Zhou, M. Khazaei, A. Ranjbar, V. Wang, T.D. Kühne, K. Ohno, Y. Kawazoe, Y. Liang, J. Mater. Chem. C 8 (2020) 5211–5221.
2020 | Journal Article | LibreCat-ID: 17379
On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials
S. Kumar Sahoo, J.J. Heske, S. Azadi, Z. Zhang, Nadezda V Tarakina, M. Oschatz, R. Z. Khaliullin, Markus Antonietti, T. Kühne, Scientific Reports 10 (2020).
LibreCat
| DOI
S. Kumar Sahoo, J.J. Heske, S. Azadi, Z. Zhang, Nadezda V Tarakina, M. Oschatz, R. Z. Khaliullin, Markus Antonietti, T. Kühne, Scientific Reports 10 (2020).
2020 | Journal Article | LibreCat-ID: 17381
Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation
H. Elgabarty, T. Kampfrath, D.J. Bonthuis, V. Balos, N.K. Kaliannan, P. Loche, R.R. Netz, M. Wolf, T.D. K{\, M. Sajadi, Science Advances 6 (2020).
LibreCat
| DOI
H. Elgabarty, T. Kampfrath, D.J. Bonthuis, V. Balos, N.K. Kaliannan, P. Loche, R.R. Netz, M. Wolf, T.D. K{\, M. Sajadi, Science Advances 6 (2020).
2020 | Journal Article | LibreCat-ID: 17386
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
T.D. Kühne, M. Iannuzzi, M. Del Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, et al., The Journal of Chemical Physics 152 (2020) 194103.
LibreCat
| DOI
T.D. Kühne, M. Iannuzzi, M. Del Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, et al., The Journal of Chemical Physics 152 (2020) 194103.
2020 | Journal Article | LibreCat-ID: 23599
GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials
V. Savikhin, H.-G. Steinrück, R.-Z. Liang, B.A. Collins, S.D. Oosterhout, P.M. Beaujuge, M.F. Toney, Journal of Applied Crystallography 53 (2020) 1108–1129.
LibreCat
| DOI
V. Savikhin, H.-G. Steinrück, R.-Z. Liang, B.A. Collins, S.D. Oosterhout, P.M. Beaujuge, M.F. Toney, Journal of Applied Crystallography 53 (2020) 1108–1129.
2020 | Journal Article | LibreCat-ID: 23600
Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene
J. Gebers, B. Özen, L. Hartmann, M. Schaer, S. Suàrez, P. Bugnon, R. Scopelliti, H.-G. Steinrück, O. Konovalov, A. Magerl, M. Brinkmann, R. Petraglia, P. Silva, C. Corminboeuf, H. Frauenrath, Chemistry – A European Journal 26 (2020) 10265–10275.
LibreCat
| DOI
J. Gebers, B. Özen, L. Hartmann, M. Schaer, S. Suàrez, P. Bugnon, R. Scopelliti, H.-G. Steinrück, O. Konovalov, A. Magerl, M. Brinkmann, R. Petraglia, P. Silva, C. Corminboeuf, H. Frauenrath, Chemistry – A European Journal 26 (2020) 10265–10275.
2020 | Journal Article | LibreCat-ID: 23601
Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation
M. Abdelsamie, J. Xu, K. Bruening, C.J. Tassone, H.-G. Steinrück, M.F. Toney, Advanced Functional Materials 30 (2020) 2001752.
LibreCat
| DOI
M. Abdelsamie, J. Xu, K. Bruening, C.J. Tassone, H.-G. Steinrück, M.F. Toney, Advanced Functional Materials 30 (2020) 2001752.
2020 | Journal Article | LibreCat-ID: 23602
Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging
T.R. Tanim, P.P. Paul, V. Thampy, C. Cao, H.-G. Steinrück, J. Nelson Weker, M.F. Toney, E.J. Dufek, M.C. Evans, A.N. Jansen, B.J. Polzin, A.R. Dunlop, S.E. Trask, Cell Reports Physical Science 1 (2020) 100114.
LibreCat
| DOI
T.R. Tanim, P.P. Paul, V. Thampy, C. Cao, H.-G. Steinrück, J. Nelson Weker, M.F. Toney, E.J. Dufek, M.C. Evans, A.N. Jansen, B.J. Polzin, A.R. Dunlop, S.E. Trask, Cell Reports Physical Science 1 (2020) 100114.
2020 | Journal Article | LibreCat-ID: 23603
Advanced Characterization in Clean Water Technologies
S.E. Bone, H.-G. Steinrück, M.F. Toney, Joule 4 (2020) 1637–1659.
LibreCat
| DOI
S.E. Bone, H.-G. Steinrück, M.F. Toney, Joule 4 (2020) 1637–1659.
2020 | Journal Article | LibreCat-ID: 23604
Understanding additive controlled lithium morphology in lithium metal batteries
R.M. Kasse, N.R. Geise, J.S. Ko, J. Nelson Weker, H.-G. Steinrück, M.F. Toney, Journal of Materials Chemistry A 8 (2020) 16960–16972.
LibreCat
| DOI
R.M. Kasse, N.R. Geise, J.S. Ko, J. Nelson Weker, H.-G. Steinrück, M.F. Toney, Journal of Materials Chemistry A 8 (2020) 16960–16972.
2020 | Journal Article | LibreCat-ID: 23605
Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor
B.D. Paulsen, R. Wu, C.J. Takacs, H.-G. Steinrück, J. Strzalka, Q. Zhang, M.F. Toney, J. Rivnay, Advanced Materials 32 (2020) 2003404.
LibreCat
| DOI
B.D. Paulsen, R. Wu, C.J. Takacs, H.-G. Steinrück, J. Strzalka, Q. Zhang, M.F. Toney, J. Rivnay, Advanced Materials 32 (2020) 2003404.
2020 | Journal Article | LibreCat-ID: 23606
Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces
H.-G. Steinrück, C. Cao, M.R. Lukatskaya, C.J. Takacs, G. Wan, D.G. Mackanic, Y. Tsao, J. Zhao, B.A. Helms, K. Xu, O. Borodin, J.F. Wishart, M.F. Toney, Angewandte Chemie International Edition 59 (2020) 23180–23187.
LibreCat
| DOI
H.-G. Steinrück, C. Cao, M.R. Lukatskaya, C.J. Takacs, G. Wan, D.G. Mackanic, Y. Tsao, J. Zhao, B.A. Helms, K. Xu, O. Borodin, J.F. Wishart, M.F. Toney, Angewandte Chemie International Edition 59 (2020) 23180–23187.