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1264 Publications
2021 | Journal Article | LibreCat-ID: 41009
Maier, S., Cronin, S. P., Vu Dinh, M.-A., Li, Z., Dyballa, M., Nowakowski, M., Bauer, M., & Estes, D. P. (2021). Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations. Organometallics, 40(11), 1751–1757. https://doi.org/10.1021/acs.organomet.1c00216
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2021 | Journal Article | LibreCat-ID: 30216
Huber-Gedert, M., Nowakowski, M., Kertmen, A., Burkhardt, L., Lindner, N., Schoch, R., Herbst‐Irmer, R., Neuba, A., Schmitz, L., Choi, T., Kubicki, J., Gawelda, W., & Bauer, M. (2021). Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad. Chemistry – A European Journal, 27(38), 9905–9918. https://doi.org/10.1002/chem.202100766
LibreCat
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2020 | Journal Article | LibreCat-ID: 25301
Scherer, B., Kottenstedde, I. L., Bremser, W., & Matysik, F.-M. (2020). Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations. Polymer Testing, Article 106786. https://doi.org/10.1016/j.polymertesting.2020.106786
LibreCat
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2020 | Journal Article | LibreCat-ID: 19679
Ojha, D., & Kühne, T. D. (2020). “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface. Molecules, 25. https://doi.org/10.3390/molecules25173939
LibreCat
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2020 | Journal Article | LibreCat-ID: 19680
Kühne, T., Heske, J. J., & Prodan, E. (2020). Disordered crystals from first principles II: Transport coefficients. Annals of Physics, 421, 168290. https://doi.org/10.1016/j.aop.2020.168290
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2020 | Journal Article | LibreCat-ID: 19681
Salem, M. A., & Kühne, T. D. (2020). Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis. Molecular Physics, 1–6. https://doi.org/10.1080/00268976.2020.1797920
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2020 | Journal Article | LibreCat-ID: 19823
Elizabeth, A., Conradi, H., K. Sahoo, S., Kodalle, T., A. Kaufmann, C., Kühne, T., … Mönig, H. (2020). Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. Acta Materialia, 200. https://doi.org/10.1016/j.actamat.2020.09.028
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2020 | Journal Article | LibreCat-ID: 21239
Sahoo, S. K., Heske, J. J., Antonietti, M., Qin, Q., Oschatz, M., & Kühne, T. (2020). Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon. ACS Applied Energy Materials, 3(10), 10061–10069. https://doi.org/10.1021/acsaem.0c01740
LibreCat
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2020 | Journal Article | LibreCat-ID: 17375
Zhou, J., Khazaei, M., Ranjbar, A., Wang, V., Kühne, T. D., Ohno, K., … Liang, Y. (2020). Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study. J. Mater. Chem. C, 8, 5211–5221. https://doi.org/10.1039/C9TC06837F
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2020 | Journal Article | LibreCat-ID: 17379
Kumar Sahoo, S., Heske, J. J., Azadi, S., Zhang, Z., V Tarakina, Nadezda , Oschatz, M., … Kühne, T. (2020). On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials. Scientific Reports, 10(1). https://doi.org/10.1038/s41598-020-62638-z
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2020 | Journal Article | LibreCat-ID: 17381
Elgabarty, H., Kampfrath, T., Bonthuis, D. J., Balos, V., Kaliannan, N. K., Loche, P., … Sajadi, M. (2020). Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation. Science Advances, 6(17). https://doi.org/10.1126/sciadv.aay7074
LibreCat
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2020 | Journal Article | LibreCat-ID: 17386
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., … al., et. (2020). CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics, 152(19), 194103. https://doi.org/10.1063/5.0007045
LibreCat
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2020 | Journal Article | LibreCat-ID: 23599
Savikhin, V., Steinrück, H.-G., Liang, R.-Z., Collins, B. A., Oosterhout, S. D., Beaujuge, P. M., & Toney, M. F. (2020). 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, 1108–1129. https://doi.org/10.1107/s1600576720005476
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2020 | Journal Article | LibreCat-ID: 23600
Gebers, J., Özen, B., Hartmann, L., Schaer, M., Suàrez, S., Bugnon, P., Scopelliti, R., Steinrück, H.-G., Konovalov, O., Magerl, A., Brinkmann, M., Petraglia, R., Silva, P., Corminboeuf, C., & Frauenrath, H. (2020). Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene. Chemistry – A European Journal, 26, 10265–10275. https://doi.org/10.1002/chem.201904562
LibreCat
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2020 | Journal Article | LibreCat-ID: 23601
Abdelsamie, M., Xu, J., Bruening, K., Tassone, C. J., Steinrück, H.-G., & Toney, M. F. (2020). Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation. Advanced Functional Materials, 30, 2001752. https://doi.org/10.1002/adfm.202001752
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2020 | Journal Article | LibreCat-ID: 23602
Tanim, T. R., Paul, P. P., Thampy, V., Cao, C., Steinrück, H.-G., Nelson Weker, J., Toney, M. F., Dufek, E. J., Evans, M. C., Jansen, A. N., Polzin, B. J., Dunlop, A. R., & Trask, S. E. (2020). Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging. Cell Reports Physical Science, 1, 100114. https://doi.org/10.1016/j.xcrp.2020.100114
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2020 | Journal Article | LibreCat-ID: 23603
Bone, S. E., Steinrück, H.-G., & Toney, M. F. (2020). Advanced Characterization in Clean Water Technologies. Joule, 4, 1637–1659. https://doi.org/10.1016/j.joule.2020.06.020
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2020 | Journal Article | LibreCat-ID: 23604
Kasse, R. M., Geise, N. R., Ko, J. S., Nelson Weker, J., Steinrück, H.-G., & Toney, M. F. (2020). Understanding additive controlled lithium morphology in lithium metal batteries. Journal of Materials Chemistry A, 8, 16960–16972. https://doi.org/10.1039/d0ta06020h
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2020 | Journal Article | LibreCat-ID: 23605
Paulsen, B. D., Wu, R., Takacs, C. J., Steinrück, H.-G., Strzalka, J., Zhang, Q., Toney, M. F., & Rivnay, J. (2020). Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor. Advanced Materials, 32, 2003404. https://doi.org/10.1002/adma.202003404
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2020 | Journal Article | LibreCat-ID: 23606
Steinrück, H.-G., Cao, C., Lukatskaya, M. R., Takacs, C. J., Wan, G., Mackanic, D. G., Tsao, Y., Zhao, J., Helms, B. A., Xu, K., Borodin, O., Wishart, J. F., & Toney, M. F. (2020). Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces. Angewandte Chemie International Edition, 59, 23180–23187. https://doi.org/10.1002/anie.202007745
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