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1483 Publications
2020 | Journal Article | LibreCat-ID: 19681
Salem, M. Alaraby, and Thomas D. Kühne. “Insight from Energy Decomposition Analysis on a Hydrogen-Bond-Mediated Mechanism for on-Water Catalysis.” Molecular Physics, 2020, 1–6. https://doi.org/10.1080/00268976.2020.1797920.
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2020 | Journal Article | LibreCat-ID: 19823
Elizabeth, Amala, Hauke Conradi, Sudhir K. Sahoo, Tim Kodalle, Christian A. Kaufmann, Thomas Kühne, Hossein Mirhosseini, Daniel Abou-Ras, and Harry Mönig. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia 200 (2020). https://doi.org/10.1016/j.actamat.2020.09.028.
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2020 | Journal Article | LibreCat-ID: 21239
Sahoo, Sudhir K., Julian Joachim Heske, Markus Antonietti, Qing Qin, Martin Oschatz, and Thomas Kühne. “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon.” ACS Applied Energy Materials 3, no. 10 (2020): 10061–69. https://doi.org/10.1021/acsaem.0c01740.
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2020 | Journal Article | LibreCat-ID: 17375
Zhou, Jiaqi, Mohammad Khazaei, Ahmad Ranjbar, Vei Wang, Thomas D. Kühne, Kaoru Ohno, Yoshiyuki Kawazoe, and Yunye Liang. “Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study.” J. Mater. Chem. C 8 (2020): 5211–21. https://doi.org/10.1039/C9TC06837F.
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2020 | Journal Article | LibreCat-ID: 17379
Kumar Sahoo, Sudhir , Julian Joachim Heske, Sam Azadi, Zhenzhe Zhang, Nadezda V Tarakina, Martin Oschatz, Rustam Z. Khaliullin, Markus Antonietti, and Thomas Kühne. “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials.” Scientific Reports 10, no. 1 (2020). https://doi.org/10.1038/s41598-020-62638-z.
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2020 | Journal Article | LibreCat-ID: 17381
Elgabarty, Hossam, Tobias Kampfrath, Douwe Jan Bonthuis, Vasileios Balos, Naveen Kumar Kaliannan, Philip Loche, Roland R. Netz, Martin Wolf, Thomas D. K{\, and Mohsen Sajadi. “Energy Transfer within the Hydrogen Bonding Network of Water Following Resonant Terahertz Excitation.” Science Advances 6, no. 17 (2020). https://doi.org/10.1126/sciadv.aay7074.
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2020 | Journal Article | LibreCat-ID: 17386
Kühne, Thomas D., Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020): 194103. https://doi.org/10.1063/5.0007045.
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2020 | Journal Article | LibreCat-ID: 23599
Savikhin, Victoria, Hans-Georg Steinrück, Ru-Ze Liang, Brian A. Collins, Stefan D. Oosterhout, Pierre M. Beaujuge, and Michael F. Toney. “GIWAXS-SIIRkit: Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering of Organic Materials.” Journal of Applied Crystallography 53 (2020): 1108–29. https://doi.org/10.1107/s1600576720005476.
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2020 | Journal Article | LibreCat-ID: 23600
Gebers, Jan, Bilal Özen, Lucia Hartmann, Michel Schaer, Stéphane Suàrez, Philippe Bugnon, Rosario Scopelliti, et al. “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene.” Chemistry – A European Journal 26 (2020): 10265–75. https://doi.org/10.1002/chem.201904562.
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2020 | Journal Article | LibreCat-ID: 23601
Abdelsamie, Maged, Junwei Xu, Karsten Bruening, Christopher J. Tassone, Hans-Georg Steinrück, and Michael F. Toney. “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation.” Advanced Functional Materials 30 (2020): 2001752. https://doi.org/10.1002/adfm.202001752.
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2020 | Journal Article | LibreCat-ID: 23602
Tanim, Tanvir R., Partha P. Paul, Vivek Thampy, Chuntian Cao, Hans-Georg Steinrück, Johanna Nelson Weker, Michael F. Toney, et al. “Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging.” Cell Reports Physical Science 1 (2020): 100114. https://doi.org/10.1016/j.xcrp.2020.100114.
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2020 | Journal Article | LibreCat-ID: 23603
Bone, Sharon E., Hans-Georg Steinrück, and Michael F. Toney. “Advanced Characterization in Clean Water Technologies.” Joule 4 (2020): 1637–59. https://doi.org/10.1016/j.joule.2020.06.020.
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2020 | Journal Article | LibreCat-ID: 23604
Kasse, Robert M., Natalie R. Geise, Jesse S. Ko, Johanna Nelson Weker, Hans-Georg Steinrück, and Michael F. Toney. “Understanding Additive Controlled Lithium Morphology in Lithium Metal Batteries.” Journal of Materials Chemistry A 8 (2020): 16960–72. https://doi.org/10.1039/d0ta06020h.
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2020 | Journal Article | LibreCat-ID: 23605
Paulsen, Bryan D., Ruiheng Wu, Christopher J. Takacs, Hans-Georg Steinrück, Joseph Strzalka, Qingteng Zhang, Michael F. Toney, and Jonathan Rivnay. “Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor.” Advanced Materials 32 (2020): 2003404. https://doi.org/10.1002/adma.202003404.
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2020 | Journal Article | LibreCat-ID: 23606
Steinrück, Hans-Georg, Chuntian Cao, Maria R. Lukatskaya, Christopher J. Takacs, Gang Wan, David G. Mackanic, Yuchi Tsao, et al. “Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces.” Angewandte Chemie International Edition 59 (2020): 23180–87. https://doi.org/10.1002/anie.202007745.
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2020 | Journal Article | LibreCat-ID: 23607
Steinrück, Hans-Georg, Christopher J. Takacs, Hong-Keun Kim, David G. Mackanic, Benjamin Holladay, Chuntian Cao, Suresh Narayanan, et al. “Concentration and Velocity Profiles in a Polymeric Lithium-Ion Battery Electrolyte.” Energy & Environmental Science 13 (2020): 4312–21. https://doi.org/10.1039/d0ee02193h.
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2020 | Journal Article | LibreCat-ID: 23608
Prihoda, Annemarie, Johannes Will, Patrick Duchstein, Bahanur Becit, Felix Lossin, Torben Schindler, Marvin Berlinghof, et al. “Interface between Water–Solvent Mixtures and a Hydrophobic Surface.” Langmuir 36 (2020): 12077–86. https://doi.org/10.1021/acs.langmuir.0c02745.
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2020 | Journal Article | LibreCat-ID: 23617
Chen, Hao, Allen Pei, Jiayu Wan, Dingchang Lin, Rafael Vilá, Hongxia Wang, David Mackanic, et al. “Tortuosity Effects in Lithium-Metal Host Anodes.” Joule 4 (2020): 938–52. https://doi.org/10.1016/j.joule.2020.03.008.
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2020 | Journal Article | LibreCat-ID: 23618
Steinrück, Hans-Georg, Chuntian Cao, Gabriel M. Veith, and Michael F. Toney. “Toward Quantifying Capacity Losses Due to Solid Electrolyte Interphase Evolution in Silicon Thin Film Batteries.” The Journal of Chemical Physics 152 (2020): 084702. https://doi.org/10.1063/1.5142643.
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2020 | Journal Article | LibreCat-ID: 18534
Vukadinovic, Yannik, Lukas Burkhardt, Ayla Päpcke, Anabel Miletic, Lorena Fritsch, Björn Altenburger, Roland Schoch, Adam Neuba, Stefan Lochbrunner, and Matthias Bauer. “When Donors Turn into Acceptors: Ground and Excited State Properties of FeII Complexes with Amine-Substituted Tridentate Bis-Imidazole-2-Ylidene Pyridine Ligands.” Inorganic Chemistry, 2020, 8762–74. https://doi.org/10.1021/acs.inorgchem.0c00393.
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